磷酸三甲苯酯(1330-78-5)紅外圖譜(IR2)
分子式:C21H21O4P
分子量: 368.36
InChI:InChI=1S/3C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21;1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21;1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h3*4-15H,1-3H3
InChIKey: IUJIYUAKFBGBCG-UHFFFAOYSA-N
Smiles:P(=O)(OC1C=CC=C(C)C=1)(OC1=CC=CC(C)=C1)OC1C=CC=C(C)C=1.P(=O)(OC1=CC=CC=C1C)(OC1=CC=CC=C1C)OC1=CC=CC=C1C.P(=O)(OC1C=CC(C)=CC=1)(OC1=CC=C(C)C=C1)OC1C=CC(C)=CC=1
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Mass
MS-NW-5543
tritolyl phosphate
C21H21O4P (Mass of molecular ion: 368)
Source Temperature: 210 °C
Sample Temperature: 140 °C
Direct, 75 eV
27.0 3.3
28.0 1.3
39.0 10.5
41.0 3.0
47.0 3.4
50.0 1.6
51.0 6.5
52.0 3.6
53.0 4.9
63.0 5.0
64.0 1.6
65.0 23.5
66.0 1.6
77.0 23.0
78.0 8.8
79.0 17.9
80.0 1.8
89.0 8.2
90.0 15.3
91.0 36.1
92.0 3.3
105.0 1.3
106.0 2.1
107.0 23.1
108.0 19.0
109.0 1.9
152.0 1.2
153.0 5.1
154.0 3.8
155.0 1.7
165.0 21.9
166.0 5.1
167.0 1.1
169.0 1.9
170.0 2.4
178.0 3.2
179.0 8.6
180.0 13.0
181.0 6.7
182.0 5.6
183.0 3.5
184.0 1.3
195.0 3.0
196.0 5.0
197.0 6.9
198.0 17.1
199.0 2.7
243.0 9.2
244.0 1.5
255.0 2.2
256.0 1.0
259.0 1.3
260.0 7.9
261.0 16.2
262.0 2.6
270.0 1.2
277.0 4.2
278.0 1.2
367.0 32.2
368.0 100.0
369.0 23.4
370.0 3.3