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3-Mercapto-2-(3-methylbenzofuran-2-carbonyl)-3-(phenylamino)acrylonitrile
SpectraBase Compound ID 1wExpfPJ0sV
InChI InChI=1S/C19H14N2O2S/c1-12-14-9-5-6-10-16(14)23-18(12)17(22)15(11-20)19(24)21-13-7-3-2-4-8-13/h2-10,21,24H,1H3/b19-15-
InChIKey PTKRXWQUVPEIGD-CYVLTUHYSA-N
Mol Weight 334.39 g/mol
Molecular Formula C19H14N2O2S
Exact Mass 334.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLMEL4pzYQl
Name 3-Mercapto-2-(3-methylbenzofuran-2-carbonyl)-3-(phenylamino)acrylonitrile
Alternate Name(s) (Z)-3-mercapto-2-(3-methylbenzofuran-2-carbonyl)-3-(phenylamino)acrylonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14N2O2S
InChI InChI=1S/C19H14N2O2S/c1-12-14-9-5-6-10-16(14)23-18(12)17(22)15(11-20)19(24)21-13-7-3-2-4-8-13/h2-10,21,24H,1H3/b19-15-
InChIKey PTKRXWQUVPEIGD-CYVLTUHYSA-N
Literature Reference DOI 10.1002/hc.20298
Molecular Weight 334.393 g/mol
SMILES N(\C(=C\(C(=O)c1oc2c(c1C)cccc2)C#N)S)c1ccccc1
SPLASH splash10-001i-2709000000-db9aa0f617243f8a1f7b
Source of Spectrum HAC-18-297-3
Wiley ID 1776042