4'-N-OCTYLOXYBENZOIC ACID 2,4,5-TRICHLOROPHENYL ESTER(79404-93-6) MS
Molecular FormulaC21H23Cl3O3
Molecular Weight429.76
InChIInChI=1S/C21H23Cl3O3/c1-2-3-4-5-6-7-12-26-16-10-8-15(9-11-16)21(25)27-20-14-18(23)17(22)13-19(20)24/h8-11,13-14H,2-7,12H2,1H3
InChIKey ILQVFGUXJOSAJH-UHFFFAOYSA-N
SmilesC(OC1=CC(Cl)=C(Cl)C=C1Cl)(=O)C1=CC=C(OCCCCCCCC)C=C1
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![](https://www.chemicalbook.com/Spectrum/79404-93-6_MS_1.jpg)
Mass
MS-IW-4915
2,4,5-trichlorophenyl p-(octyloxy)benzoate
C21H23Cl3O3 (Mass of molecular ion: 428)
Source Temperature: 160 °C
Sample Temperature: 140 °C
Direct, 75 eV
29.0 2.0
41.0 3.7
43.0 3.7
55.0 2.2
57.0 1.8
65.0 2.6
69.0 1.6
76.0 1.1
92.0 2.0
93.0 4.2
104.0 1.8
120.0 4.5
121.0 47.6
122.0 3.7
233.0 100.0
234.0 16.5
235.0 1.7