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Methyl 2-{m,p-Dichloro-o-[cyano(phenylthio)methyl]phenyl}acetate
SpectraBase Compound ID I3uB6gFZz7p
InChI InChI=1S/C17H13Cl2NO2S/c1-22-17(21)8-11-7-14(18)15(19)9-13(11)16(10-20)23-12-5-3-2-4-6-12/h2-7,9,16H,8H2,1H3
InChIKey HYWIIAMLOVWAEI-UHFFFAOYSA-N
Mol Weight 366.26 g/mol
Molecular Formula C17H13Cl2NO2S
Exact Mass 365.004405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZD4rtfIwpw
Name Methyl 2-{m,p-Dichloro-o-[cyano(phenylthio)methyl]phenyl}acetate
Alternate Name(s) Methyl 2-(4,5-dichloro-2-(cyano(phenylthio)methyl)phenyl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13Cl2NO2S
InChI InChI=1S/C17H13Cl2NO2S/c1-22-17(21)8-11-7-14(18)15(19)9-13(11)16(10-20)23-12-5-3-2-4-6-12/h2-7,9,16H,8H2,1H3
InChIKey HYWIIAMLOVWAEI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol703058p
Molecular Weight 366.262 g/mol
SMILES c1(cc(CC(OC)=O)c(C(Sc2ccccc2)C#N)cc1Cl)Cl
SPLASH splash10-0aos-2829000000-4119d762b07c88de55c0
Source of Spectrum A1-10-693/SMS5-5m
Wiley ID 1759160