溴百里酚藍(lán)(76-59-5)紅外圖譜(IR1)
分子式:C27H28Br2O5S
分子量: 624.38
InChI:InChI=1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3
InChIKey: NUHCTOLBWMJMLX-UHFFFAOYSA-N
Smiles:CC1C(=C(O)C(C(C)C)=CC=1C1(C2C=C(C(C)C)C(O)=C(Br)C=2C)OS(=O)(=O)C2C=CC=CC1=2)Br
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Mass
MS2011-04454CW
bromothymol blue
C27H28Br2O5S (Mass of molecular ion: 622)
Source Temperature: 250 °C
Sample Temperature: 80 °C
Direct, 70 eV
15.0 2.3
17.0 3.2
18.0 12.8
23.0 1.5
27.0 12.3
28.0 6.2
29.0 5.5
31.0 1.6
32.0 1.1
36.0 2.1
38.0 1.2
39.0 9.5
39.5 1.0
40.0 1.8
41.0 27.7
42.0 2.1
43.0 66.5
44.0 7.9
45.0 1.3
48.0 2.9
50.0 1.9
51.0 5.2
52.0 1.6
53.0 5.4
55.0 5.6
57.0 1.1
63.0 2.9
64.0 7.1
65.0 6.4
66.0 1.4
67.0 12.4
69.0 4.1
75.0 2.0
76.0 4.2
77.0 18.4
78.0 6.7
79.0 24.0
80.0 42.9
81.0 17.5
82.0 41.3
83.0 2.6
88.0 1.0
89.0 4.2
90.0 1.4
91.0 13.3
92.0 2.6
93.0 1.9
94.0 1.1
94.5 1.3
95.0 1.4
97.0 1.4
101.0 3.4
102.0 2.6
103.0 8.6
104.0 7.0
105.0 13.1
106.0 1.9
106.5 1.3
107.0 2.9
107.5 1.4
108.0 1.8
109.0 1.2
113.0 5.6
113.5 1.5
114.0 2.9
115.0 13.0
116.0 3.3
117.0 3.4
118.0 2.1
118.5 2.0
119.0 4.9
119.5 6.5
120.0 5.7
120.5 1.1
121.0 3.8
122.0 1.1
125.0 4.2
125.5 1.7
126.0 10.9
126.5 3.4
127.0 4.5
127.5 1.5
128.0 6.0
129.0 3.6
130.0 1.2
131.0 5.3
131.5 8.8
132.0 10.3
132.5 5.3
133.0 16.4
133.5 1.7
134.0 8.3
134.5 1.7
135.0 4.8
136.0 1.6
137.0 3.2
137.5 1.4
138.0 13.3
138.5 5.7
139.0 7.9
139.5 3.3
140.0 4.2
140.5 2.7
141.0 5.6
141.5 1.7
142.0 2.1
143.0 1.1
143.5 3.1
144.0 3.0
144.5 6.4
145.0 7.3
145.5 2.5
146.0 6.5
146.5 3.1
147.0 7.3
147.5 3.1
148.0 12.6
148.5 1.8
149.0 3.7
149.5 1.0
150.0 5.3
150.5 2.2
151.0 7.0
151.5 1.7
152.0 10.4
152.5 2.5
153.0 12.0
153.5 2.0
154.0 4.6
154.5 2.9
155.0 4.9
155.5 3.2
156.0 2.6
156.5 2.0
157.0 2.2
158.0 1.7
159.0 2.2
159.5 1.6
160.0 2.8
160.5 1.8
161.0 3.4
161.5 3.0
162.0 5.1
162.5 2.7
163.0 6.1
163.5 1.2
164.0 6.8
165.0 19.4
166.0 5.5
167.0 2.7
167.5 1.2
168.0 3.0
168.5 3.6
169.0 6.0
169.5 3.2
170.0 2.5
170.5 1.0
171.0 1.3
175.0 1.6
176.0 6.9
176.5 4.3
177.0 8.0
177.5 1.4
178.0 12.3
179.0 6.8
180.0 2.3
181.0 7.3
182.0 3.6
183.0 1.3
184.0 1.6
184.5 1.1
185.0 1.7
187.0 2.1
188.0 2.1
189.0 14.0
190.0 6.1
191.0 8.5
192.0 4.6
193.0 3.7
194.0 6.6
195.0 5.4
196.0 2.2
197.0 1.4
199.0 1.8
200.0 3.2
201.0 4.1
201.5 1.1
202.0 15.5
202.5 1.8
203.0 8.8
203.5 1.0
204.0 2.7
205.0 5.7
206.0 3.0
207.0 5.7
208.0 5.6
208.5 1.1
209.0 7.8
209.5 2.6
210.0 10.2
210.5 1.3
211.0 4.1
212.0 4.4
213.0 8.4
214.0 6.2
215.0 10.6
215.5 1.0
216.0 7.6
216.5 3.3
217.0 7.0
217.5 2.4
218.0 6.5
219.0 7.9
220.0 6.3
221.0 9.1
222.0 3.3
223.0 3.6
223.5 2.6
224.0 4.9
224.5 3.1
225.0 4.5
226.0 12.5
227.0 7.3
228.0 7.1
229.0 4.8
230.0 3.3
231.0 4.6
232.0 3.2
233.0 3.0
234.0 2.9
235.0 6.1
236.0 6.9
237.0 8.5
238.0 4.1
239.0 19.1
240.0 7.6
241.0 6.3
242.0 4.3
243.0 7.8
244.0 3.5
245.0 5.7
246.0 1.8
247.0 1.2
248.0 1.6
249.0 2.7
249.5 1.4
250.0 8.1
251.0 9.4
252.0 15.6
253.0 11.6
254.0 4.7
255.0 14.6
256.0 6.3
257.0 10.3
257.5 1.0
258.0 4.3
259.0 2.3
260.0 1.1
261.0 1.9
262.0 1.3
263.0 11.4
264.0 7.2
264.5 1.0
265.0 12.0
266.0 6.9
267.0 5.8
268.0 11.0
269.0 12.7
270.0 6.3
271.0 5.1
272.0 2.9
273.0 3.9
274.0 2.9
275.0 4.1
276.0 7.9
277.0 7.2
278.0 4.2
279.0 8.9
280.0 5.1
281.0 13.9
282.0 13.5
283.0 11.2
284.0 13.3
285.0 7.8
286.0 3.0
287.0 3.6
288.0 3.3
289.0 5.7
290.0 3.7
291.0 4.2
292.0 6.7
293.0 8.4
294.0 6.4
295.0 10.1
296.0 7.5
297.0 11.2
297.5 1.6
298.0 15.1
299.0 11.2
300.0 6.1
301.0 6.9
302.0 5.0
303.0 3.4
304.0 4.1
305.0 4.2
306.0 4.1
307.0 6.2
308.0 6.5
309.0 8.4
310.0 10.6
311.0 11.7
312.0 5.9
313.0 5.7
314.0 4.3
315.0 18.1
316.0 9.5
317.0 15.6
318.0 4.2
319.0 2.8
320.0 1.9
321.0 2.9
322.0 2.5
323.0 5.1
324.0 6.9
325.0 8.1
326.0 7.3
327.0 5.0
328.0 1.9
329.0 2.0
330.0 3.5
331.0 3.1
332.0 3.7
333.0 3.5
334.0 1.8
335.0 2.9
336.0 2.0
337.0 3.2
338.0 2.6
339.0 4.6
340.0 4.6
341.0 4.0
342.0 2.8
343.0 9.0
344.0 2.6
345.0 1.4
346.0 3.0
347.0 3.1
348.0 3.4
349.0 3.6
350.0 1.9
351.0 2.5
352.0 1.7
353.0 2.8
354.0 1.5
355.0 1.8
356.0 1.7
357.0 1.8
359.0 2.4
360.0 2.4
361.0 4.4
362.0 9.1
363.0 7.4
364.0 8.8
365.0 5.9
366.0 2.9
367.0 2.5
368.0 1.8
369.0 3.0
370.0 1.5
371.0 3.9
372.0 1.8
373.0 2.9
374.0 2.5
375.0 5.8
376.0 6.0
377.0 8.4
378.0 8.6
379.0 13.3
380.0 6.9
381.0 10.3
382.0 3.4
383.0 2.1
384.0 6.7
385.0 6.0
386.0 2.8
387.0 3.2
388.0 4.0
389.0 7.4
390.0 6.8
391.0 8.3
392.0 6.4
393.0 20.2
394.0 40.4
395.0 39.3
396.0 43.5
397.0 23.5
398.0 5.9
399.0 2.5
401.0 1.8
402.0 1.8
403.0 4.1
404.0 5.2
405.0 10.0
406.0 7.6
407.0 7.8
408.0 4.0
409.0 2.2
411.0 1.0
415.0 1.3
417.0 2.7
418.0 2.8
419.0 5.7
420.0 7.0
421.0 22.5
422.0 11.4
423.0 22.2
424.0 6.0
425.0 1.5
431.0 1.8
432.0 1.3
433.0 5.4
434.0 2.9
435.0 7.3
436.0 3.2
437.0 4.2
438.0 1.5
439.0 1.6
441.0 2.4
442.0 1.4
443.0 2.8
444.0 4.2
445.0 3.4
446.0 4.5
447.0 9.5
448.0 6.5
449.0 16.2
450.0 8.4
451.0 13.5
452.0 4.2
453.0 1.4
455.0 1.9
456.0 1.6
457.0 2.8
458.0 7.9
459.0 6.1
460.0 8.4
461.0 7.0
462.0 27.3
463.0 35.1
464.0 35.0
465.0 36.5
466.0 13.3
467.0 6.8
468.0 2.0
469.0 3.2
470.0 2.7
471.0 3.3
472.0 2.7
473.0 2.5
474.0 1.1
475.0 1.0
479.0 1.6
480.0 1.1
481.0 1.1
483.0 2.5
484.0 2.3
485.0 5.2
486.0 8.2
487.0 5.8
488.0 7.1
489.0 2.9
497.0 1.9
498.0 2.2
499.0 48.2
500.0 26.6
501.0 100.0
502.0 38.8
503.0 57.1
504.0 14.9
505.0 4.0
511.0 2.4
512.0 1.3
513.0 5.2
514.0 2.4
515.0 5.7
516.0 2.1
517.0 3.9
518.0 1.7
519.0 1.5
520.0 1.6
522.0 1.0
523.0 4.4
524.0 1.6
525.0 10.5
526.0 4.1
527.0 34.1
528.0 18.8
529.0 66.4
530.0 26.7
531.0 39.6
532.0 11.1
533.0 2.4
537.0 7.1
538.0 2.5
539.0 14.3
540.0 6.5
541.0 19.9
542.0 16.3
543.0 45.2
544.0 31.4
545.0 45.7
546.0 23.5
547.0 15.6
548.0 4.2
549.0 1.1
551.0 1.1
558.0 1.4
559.0 1.0
560.0 1.6
564.0 1.1
565.0 2.2
566.0 2.4
567.0 3.8
568.0 1.9
569.0 2.0
579.0 20.0
580.0 5.7
581.0 40.2
582.0 11.0
583.0 22.5
584.0 5.9
585.0 2.0
607.0 47.7
608.0 14.3
609.0 96.6
610.0 28.2
611.0 53.4
612.0 15.1
613.0 4.7
614.0 1.0
621.0 1.9
622.0 34.2
623.0 14.1
624.0 69.0
625.0 23.1
626.0 38.6
627.0 11.6
628.0 3.6