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(E)-3-amino-2-cyano-3-(phenylthio)acrylic acid methyl ester
SpectraBase Compound ID FAq3EcWCeau
InChI InChI=1S/C11H10N2O2S/c1-15-11(14)9(7-12)10(13)16-8-5-3-2-4-6-8/h2-6H,13H2,1H3/b10-9+
InChIKey MESNNBQEJDEBOK-MDZDMXLPSA-N
Mol Weight 234.27 g/mol
Molecular Formula C11H10N2O2S
Exact Mass 234.046299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCQRx7UEyVl
Name (E)-3-amino-2-cyano-3-(phenylthio)-2-propenoic acid methyl ester
CAS Registry Number 114907-85-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10N2O2S
InChI InChI=1S/C11H10N2O2S/c1-15-11(14)9(7-12)10(13)16-8-5-3-2-4-6-8/h2-6H,13H2,1H3/b10-9+
InChIKey MESNNBQEJDEBOK-MDZDMXLPSA-N
Molecular Weight 234.273 g/mol
SMILES N\C(=C/(C(=O)OC)C#N)Sc1ccccc1
SPLASH splash10-03di-0940000000-f572244efc56ba05c410
Source of Spectrum K-121-1821-3
Synonyms (E)-3-amino-2-cyano-3-(phenylthio)acrylic acid methyl ester Methyl (E)-3-amino-2-cyano-3-phenylsulfanyl-prop-2-enoate Methyl (E)-3-azanyl-2-cyano-3-phenylsulfanyl-prop-2-enoate
Wiley ID 1235605