For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2E)-2-(4-chlorobenzoyl)penta-2,4-dienethioic acid S-methyl ester
SpectraBase Compound ID JZtN66TH6Fw
InChI InChI=1S/C13H11ClO2S/c1-3-4-11(13(16)17-2)12(15)9-5-7-10(14)8-6-9/h3-8H,1H2,2H3/b11-4+
InChIKey NLRQGWFCVBGLCU-NYYWCZLTSA-N
Mol Weight 266.74 g/mol
Molecular Formula C13H11ClO2S
Exact Mass 266.016828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 82iy0t7eeQx
Name (2E)-2-(4-chlorobenzoyl)penta-2,4-dienethioic acid S-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClO2S
InChI InChI=1S/C13H11ClO2S/c1-3-4-11(13(16)17-2)12(15)9-5-7-10(14)8-6-9/h3-8H,1H2,2H3/b11-4+
InChIKey NLRQGWFCVBGLCU-NYYWCZLTSA-N
Molecular Weight 266.742 g/mol
SMILES C(\C(C(=O)SC)=C/C=C)(c1ccc(cc1)Cl)=O
SPLASH splash10-00kf-0980000000-dbeb2772962925be8b25
Source of Spectrum KC-0-1752-5
Synonyms (2E)-2-[(4-chlorophenyl)-oxomethyl]penta-2,4-dienethioic acid S-methyl ester S-methyl (2E)-2-(4-chlorobenzoyl)penta-2,4-dienethioate S-methyl (2E)-2-(4-chlorophenyl)carbonylpenta-2,4-dienethioate
Wiley ID 781414