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p-(octyloxy)benzoic acid, 2,4,5-trichlorophenyl ester
SpectraBase Compound ID 74Q01pUjs9O
InChI InChI=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
Mol Weight 429.77 g/mol
Molecular Formula C21H23Cl3O3
Exact Mass 428.071278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EegeA04V0E4
Name 2,4,5-Trichlorophenyl 4-(octyloxy)benzoate
Alternate Name(s) 2,4,5-Trichlorophenyl p-(octyloxy)benzoate (2,4,5-trichlorophenyl) 4-octoxybenzoate [2,4,5-tris(chloranyl)phenyl] 4-octoxybenzoate
CAS Registry Number 79404-93-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23Cl3O3
InChI InChI=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
Molecular Weight 429.771 g/mol
SMILES c1c(ccc(c1)OCCCCCCCC)C(Oc1cc(c(cc1Cl)Cl)Cl)=O
SPLASH splash10-001i-2490000000-7397ee8c512074a4f50f
Source of Spectrum NP-14-9929-0
Wiley ID 1112158