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Ethyl 2-(3-amino-2-cyano-3-phenyl-1=thioxopropenylthio)acetate
SpectraBase Compound ID LRE4bgUpcn7
InChI InChI=1S/C14H14N2O2S2/c1-2-18-12(17)9-20-14(19)11(8-15)13(16)10-6-4-3-5-7-10/h3-7H,2,9,16H2,1H3/b13-11-
InChIKey IYHKNJWULRSZIC-QBFSEMIESA-N
Mol Weight 306.4 g/mol
Molecular Formula C14H14N2O2S2
Exact Mass 306.04967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gJ4RTkWTUe
Name Ethyl 2-(3-amino-2-cyano-3-phenyl-1=thioxopropenylthio)acetate
CAS Registry Number 126938-64-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O2S2
InChI InChI=1S/C14H14N2O2S2/c1-2-18-12(17)9-20-14(19)11(8-15)13(16)10-6-4-3-5-7-10/h3-7H,2,9,16H2,1H3/b13-11-
InChIKey IYHKNJWULRSZIC-QBFSEMIESA-N
Molecular Weight 306.398 g/mol
SMILES N\C(=C/(C(SCC(=O)OCC)=S)C#N)c1ccccc1
SPLASH splash10-000i-1900000000-b270d4feec76095a4710
Source of Spectrum B-42-1297-1
Synonyms Ethyl {[(2Z)-3-amino-2-cyano-3-phenyl-2-propenethioyl]sulfanyl}acetate
Wiley ID 1307781