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4-Chlorobenzenecarbothioic acid S-(phenylmethylthio) ester
SpectraBase Compound ID 3f2A1MpO2pm
InChI InChI=1S/C14H11ClOS2/c15-13-8-6-12(7-9-13)14(16)18-17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey GWXYGTSENBRMIJ-UHFFFAOYSA-N
Mol Weight 294.81 g/mol
Molecular Formula C14H11ClOS2
Exact Mass 293.993985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 682J14CdZ9
Name 4-Chlorobenzenecarbothioic acid S-(phenylmethylthio) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11ClOS2
InChI InChI=1S/C14H11ClOS2/c15-13-8-6-12(7-9-13)14(16)18-17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey GWXYGTSENBRMIJ-UHFFFAOYSA-N
Molecular Weight 294.814 g/mol
SMILES C(c1ccc(cc1)Cl)(=O)SSCc1ccccc1
SPLASH splash10-000i-1900000000-e42678b6e9bbecc9540a
Source of Spectrum SO-0-1039-5
Synonyms 4-Chlorothiobenzoic acid S-(benzylthio) ester S-(phenylmethylsulfanyl) 4-chloranylbenzenecarbothioate S-benzylsulfanyl 4-chlorobenzenecarbothioate
Wiley ID 864426