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2-Propene(dithioic) acid, 3-(4-chlorophenyl)-3-hydroxy-, propyl ester
SpectraBase Compound ID 4DPFRCoLP6D
InChI InChI=1S/C12H13ClOS2/c1-2-7-16-12(15)8-11(14)9-3-5-10(13)6-4-9/h3-6,8,14H,2,7H2,1H3/b11-8-
InChIKey YHTSRAPGJNVARY-FLIBITNWSA-N
Mol Weight 272.81 g/mol
Molecular Formula C12H13ClOS2
Exact Mass 272.009635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdWGZlSJm10
Name 2-Propene(dithioic) acid, 3-(4-chlorophenyl)-3-hydroxy-, propyl ester
CAS Registry Number 56298-83-0
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClOS2
InChI InChI=1S/C12H13ClOS2/c1-2-7-16-12(15)8-11(14)9-3-5-10(13)6-4-9/h3-6,8,14H,2,7H2,1H3/b11-8-
InChIKey YHTSRAPGJNVARY-FLIBITNWSA-N
Molecular Weight 272.808 g/mol
SMILES O\C(=C/C(SCCC)=S)c1ccc(cc1)Cl
SPLASH splash10-000j-2910000000-208f9fa19e9a9c103c94
Source of Spectrum F-28-5350-8
Synonyms Propyl (2Z)-3-(4-chlorophenyl)-3-hydroxy-2-propenedithioate
Wiley ID 1275753