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2-(1,3-Dithian-2-ylidene)-3-keto-3-phenyl-propionitrile
SpectraBase Compound ID Gr7OtAainWm
InChI InChI=1S/C13H11NOS2/c14-9-11(13-16-7-4-8-17-13)12(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChIKey AFSSAHOZKULCBJ-UHFFFAOYSA-N
Mol Weight 261.36 g/mol
Molecular Formula C13H11NOS2
Exact Mass 261.028206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hy5dPmQUydG
Name 2-(1,3-Dithian-2-ylidene)-3-oxo-3-phenylpropanenitrile
CAS Registry Number 78839-23-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NOS2
InChI InChI=1S/C13H11NOS2/c14-9-11(13-16-7-4-8-17-13)12(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
InChIKey AFSSAHOZKULCBJ-UHFFFAOYSA-N
Molecular Weight 261.357 g/mol
SMILES C(=C1SCCCS1)(C(=O)c1ccccc1)C#N
SPLASH splash10-0a6r-9820000000-65e43e20844972567469
Source of Spectrum AD-0-2532-0
Synonyms 2-(1,3-dithian-2-ylidene)-3-keto-3-phenyl-propionitrile 2-(1,3-dithian-2-ylidene)-3-oxidanylidene-3-phenyl-propanenitrile Benzenepropanenitrile, .beta.-oxo-.alpha.-(1,3-dithioxan-2-ylideno)-
Wiley ID 1430429