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2-(4-Chloro-2-methyl-phenoxy)propionic acid octyl ester

View entire compound with spectra: 2 MS (GC)

2-(4-Chloro-2-methyl-phenoxy)propionic acid octyl ester
SpectraBase Compound ID 3ECz1rN99CZ
InChI InChI=1S/C18H27ClO3/c1-4-5-6-7-8-9-12-21-18(20)15(3)22-17-11-10-16(19)13-14(17)2/h10-11,13,15H,4-9,12H2,1-3H3
InChIKey QWQMRXFSCXUHMR-UHFFFAOYSA-N
Mol Weight 326.86 g/mol
Molecular Formula C18H27ClO3
Exact Mass 326.164872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ek8i716CgGQ
Name 2-(4-Chloro-2-methyl-phenoxy)propionic acid octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27ClO3
InChI InChI=1S/C18H27ClO3/c1-4-5-6-7-8-9-12-21-18(20)15(3)22-17-11-10-16(19)13-14(17)2/h10-11,13,15H,4-9,12H2,1-3H3
InChIKey QWQMRXFSCXUHMR-UHFFFAOYSA-N
Molecular Weight 326.864 g/mol
SMILES c1(cc(c(cc1)OC(C)C(=O)OCCCCCCCC)C)Cl
SPLASH splash10-00kf-5902000000-d5a631b92b17a3dd4097
Synonyms 2-(4-Chloro-2-methylphenoxy)propanoic acid octyl ester Octyl 2-(4-chloranyl-2-methyl-phenoxy)propanoate Octyl 2-(4-chloro-2-methyl-phenoxy)propanoate
Wiley ID 1472318