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Benzenepropanenitrile, .beta.-imino-.alpha.-[mercapto[(2-oxopropyl)thio]methylene]-, (Z)-
SpectraBase Compound ID DB1Wv8JbgFi
InChI InChI=1S/C13H12N2OS2/c1-9(16)8-18-13(17)11(7-14)12(15)10-5-3-2-4-6-10/h2-6H,8,15H2,1H3/b12-11+
InChIKey OUZFVNPSTFSHBW-VAWYXSNFSA-N
Mol Weight 276.37 g/mol
Molecular Formula C13H12N2OS2
Exact Mass 276.039105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJ66j3hyzDl
Name Benzenepropanenitrile, .beta.-imino-.alpha.-[mercapto[(2-oxopropyl)thio]methylene]-, (Z)-
CAS Registry Number 126938-63-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2OS2
InChI InChI=1S/C13H12N2OS2/c1-9(16)8-18-13(17)11(7-14)12(15)10-5-3-2-4-6-10/h2-6H,8,15H2,1H3/b12-11+
InChIKey OUZFVNPSTFSHBW-VAWYXSNFSA-N
Molecular Weight 276.372 g/mol
SMILES N\C(=C\(C(SCC(=O)C)=S)C#N)c1ccccc1
SPLASH splash10-009l-6980000000-ceae8d36cd962ae9e371
Source of Spectrum B-42-1297-1
Synonyms 2-Oxopropyl (2E)-3-amino-2-cyano-3-phenyl-2-propenedithioate 2-Oxopropyl 3-amino-2-cyano-3-phenylpropenedithioate
Wiley ID 1279728