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Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester
SpectraBase Compound ID IABkYRhlern
InChI InChI=1S/C17H23Cl3O4/c1-3-5-6-17(4-2,10-21)11-24-16(22)9-23-15-8-13(19)12(18)7-14(15)20/h7-8,21H,3-6,9-11H2,1-2H3
InChIKey BBSHWPYNESPBAW-UHFFFAOYSA-N
Mol Weight 397.73 g/mol
Molecular Formula C17H23Cl3O4
Exact Mass 396.066192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVBZZYvBTwo
Name Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester
CAS Registry Number 25417-35-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23Cl3O4
InChI InChI=1S/C17H23Cl3O4/c1-3-5-6-17(4-2,10-21)11-24-16(22)9-23-15-8-13(19)12(18)7-14(15)20/h7-8,21H,3-6,9-11H2,1-2H3
InChIKey BBSHWPYNESPBAW-UHFFFAOYSA-N
Molecular Weight 397.726 g/mol
SMILES OCC(CC)(CCCC)COC(COc1cc(c(cc1Cl)Cl)Cl)=O
SPLASH splash10-054o-9210000000-5ba111a061b62e1787ac
Source of Spectrum W5-33355-32181-32181
Synonyms 2-Ethyl-2-(hydroxymethyl)hexyl (2,4,5-trichlorophenoxy)acetate 2-(2,4,5-trichlorophenoxy)acetic acid (2-ethyl-2-methylol-hexyl) ester 2-(2,4,5-trichlorophenoxy)acetic acid [2-ethyl-2-(hydroxymethyl)hexyl] ester [2-ethyl-2-(hydroxymethyl)hexyl] 2-(2,4,5-trichlorophenoxy)acetate
Wiley ID 1367263