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(E)-3-(phenylthio)-2-propenethioic acid S-phenyl ester
SpectraBase Compound ID DdalezD5csb
InChI InChI=1S/C15H12OS2/c16-15(18-14-9-5-2-6-10-14)11-12-17-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKey QFNZQBAOPFZLIE-VAWYXSNFSA-N
Mol Weight 272.38 g/mol
Molecular Formula C15H12OS2
Exact Mass 272.032957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnooL9FtqrX
Name (E)-3-(phenylthio)-2-propenethioic acid S-phenyl ester
Alternate Name(s) (E)-3-(phenylthio)prop-2-enethioic acid S-phenyl ester S-phenyl (E)-3-phenylsulfanylprop-2-enethioate
CAS Registry Number 120453-94-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12OS2
InChI InChI=1S/C15H12OS2/c16-15(18-14-9-5-2-6-10-14)11-12-17-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKey QFNZQBAOPFZLIE-VAWYXSNFSA-N
Molecular Weight 272.380 g/mol
SMILES C(\C=C\Sc1ccccc1)(Sc1ccccc1)=O
SPLASH splash10-03di-7900000000-9c117e41e281153cc587
Source of Spectrum B-41-887-3
Wiley ID 1276056