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Benzenepropanenitrile, .beta.-imino-.alpha.-[mercapto[(phenylmethyl)thio]methylene]-, (Z)-
SpectraBase Compound ID 4cRZnU45qiI
InChI InChI=1S/C17H14N2S2/c18-11-15(16(19)14-9-5-2-6-10-14)17(20)21-12-13-7-3-1-4-8-13/h1-10,19-20H,12H2/b17-15+,19-16?
InChIKey CLTBIKFAJHZIGT-TXNDGSBOSA-N
Mol Weight 310.43 g/mol
Molecular Formula C17H14N2S2
Exact Mass 310.059841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yTtFCb56Og
Name Benzenepropanenitrile, .beta.-imino-.alpha.-[mercapto[(phenylmethyl)thio]methylene]-, (Z)-
Alternate Name(s) (2Z)-3-(benzylsulfanyl)-2-[imino(phenyl)methyl]-3-sulfanyl-2-propenenitrile Benzyl 3-amino-2-cyano-3-phenylpropenedithioate
CAS Registry Number 126938-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2S2
InChI InChI=1S/C17H14N2S2/c18-11-15(16(19)14-9-5-2-6-10-14)17(20)21-12-13-7-3-1-4-8-13/h1-10,19-20H,12H2/b17-15+,19-16?
InChIKey CLTBIKFAJHZIGT-TXNDGSBOSA-N
Molecular Weight 310.433 g/mol
SMILES N=C(\C(=C/(SCc1ccccc1)S)C#N)c1ccccc1
SPLASH splash10-000l-6901000000-307cba90342ba2074cb3
Source of Spectrum B-42-1297-1
Wiley ID 1311480