鄰甲酚酞(596-27-0)紅外圖譜(IR1)
InChI:InChI=1S/C22H18O4/c1-13-11-15(7-9-19(13)23)22(16-8-10-20(24)14(2)12-16)18-6-4-3-5-17(18)21(25)26-22/h3-12,23-24H,1-2H3
InChIKey: CPBJMKMKNCRKQB-UHFFFAOYSA-N
Smiles:C1(=O)C2=C(C=CC=C2)C(C2=CC=C(O)C(C)=C2)(C2=CC=C(O)C(C)=C2)O1
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Mass
MS-NW-0388
o-cresolphthalein
C22H18O4 (Mass of molecular ion: 346)
Source Temperature: 170 °C
Sample Temperature: 170 °C
Direct, 75 eV
18.0 1.3
28.0 1.0
39.0 2.2
51.0 2.3
52.0 1.0
53.0 1.6
55.0 1.5
63.0 1.4
75.0 1.4
76.0 4.3
77.0 8.4
78.0 1.6
79.0 2.5
88.0 1.0
89.0 1.0
91.0 1.2
94.5 1.0
101.0 2.0
104.0 4.6
105.0 2.5
106.5 1.1
107.0 3.9
108.0 1.2
113.0 2.8
115.0 2.0
119.0 1.2
119.5 2.6
120.0 1.2
121.0 1.0
125.0 1.1
126.0 1.3
127.0 1.4
128.0 1.6
129.0 1.0
133.0 1.1
134.0 2.2
135.0 15.0
136.0 2.1
139.0 1.8
141.0 1.0
143.0 1.7
143.5 2.4
150.0 1.4
151.0 1.7
152.0 4.0
153.0 2.4
155.0 1.4
163.0 1.4
164.0 2.5
165.0 7.4
166.0 2.2
168.0 3.0
169.0 1.0
173.0 4.7
176.0 1.1
178.0 1.0
181.0 2.9
182.0 1.3
183.0 1.0
189.0 1.8
194.0 2.7
195.0 8.3
196.0 2.0
202.0 2.8
203.0 1.0
210.0 1.0
211.0 11.6
212.0 2.0
213.0 1.8
214.0 1.7
215.0 2.8
225.0 1.6
226.0 2.7
227.0 1.5
228.0 1.4
229.0 1.2
231.0 1.2
238.0 1.2
239.0 41.3
240.0 7.7
241.0 1.8
242.0 1.2
244.0 1.5
245.0 1.1
255.0 2.2
256.0 1.1
257.0 2.1
258.0 2.5
259.0 1.0
269.0 1.6
271.0 2.3
272.0 1.2
273.0 1.0
285.0 14.2
286.0 3.9
287.0 100.0
288.0 22.3
289.0 3.1
301.0 19.6
302.0 43.1
303.0 10.0
304.0 1.3
317.0 1.2
329.0 1.1
331.0 5.4
332.0 1.4
345.0 3.0
346.0 55.5
347.0 13.5
348.0 2.1