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Methyl (2E)-2-cyano-3-[1-methyl-5-(phenylsulfanyl)-1H-pyrrol-2-yl]-2-propenoate
SpectraBase Compound ID 6PR77zbPnLi
InChI InChI=1S/C16H14N2O2S/c1-18-13(10-12(11-17)16(19)20-2)8-9-15(18)21-14-6-4-3-5-7-14/h3-10H,1-2H3/b12-10+
InChIKey VLRRFACYZXUKSH-ZRDIBKRKSA-N
Mol Weight 298.36 g/mol
Molecular Formula C16H14N2O2S
Exact Mass 298.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cq4OGBjNoyl
Name Methyl (2E)-2-cyano-3-[1-methyl-5-(phenylsulfanyl)-1H-pyrrol-2-yl]-2-propenoate
Alternate Name(s) (E)-2-cyano-3-[1-methyl-5-(phenylthio)-2-pyrrolyl]-2-propenoic acid methyl ester (E)-2-cyano-3-[1-methyl-5-(phenylthio)pyrrol-2-yl]acrylic acid methyl ester Methyl (E)-2-cyano-3-(1-methyl-5-phenylsulfanyl-pyrrol-2-yl)prop-2-enoate Propenoic acid, 2-cyano-3-(1-methyl-5-phenylthio-2-pyrrolyl)-, methyl ester
CAS Registry Number 94008-41-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N2O2S
InChI InChI=1S/C16H14N2O2S/c1-18-13(10-12(11-17)16(19)20-2)8-9-15(18)21-14-6-4-3-5-7-14/h3-10H,1-2H3/b12-10+
InChIKey VLRRFACYZXUKSH-ZRDIBKRKSA-N
Molecular Weight 298.360 g/mol
SMILES c1([n](c(\C=C\(C(=O)OC)C#N)cc1)C)Sc1ccccc1
SPLASH splash10-0002-3090000000-45a9f5d8b4bb2d637d91
Source of Spectrum AD-0-2532-0
Wiley ID 1429358