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5-Amino-2,4-dicyano-5-mercapto-penta-2,4-dienoic acid ethyl ester
SpectraBase Compound ID 6vAy6q40huC
InChI InChI=1S/C9H9N3O2S/c1-2-14-9(13)7(5-11)3-6(4-10)8(12)15/h3,15H,2,12H2,1H3/b7-3-,8-6-
InChIKey FVDMIPUPUSOIPT-NHYXXKRCSA-N
Mol Weight 223.25 g/mol
Molecular Formula C9H9N3O2S
Exact Mass 223.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7mNodho6YD
Name 5-Amino-2,4-dicyano-5-mercapto-penta-2,4-dienoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3O2S
InChI InChI=1S/C9H9N3O2S/c1-2-14-9(13)7(5-11)3-6(4-10)8(12)15/h3,15H,2,12H2,1H3/b7-3-,8-6-
InChIKey FVDMIPUPUSOIPT-NHYXXKRCSA-N
Molecular Weight 223.250 g/mol
SMILES S\C(=C\(\C=C/(C(=O)OCC)C#N)C#N)N
SPLASH splash10-0udj-3910000000-030d65e7d024373ea248
Synonyms (2Z,4Z)-5-amino-2,4-dicyano-5-mercapto-penta-2,4-dienoic acid ethyl ester Ethyl (2Z,4Z)-5-amino-2,4-dicyano-5-sulfanyl-2,4-pentadienoate Ethyl (2Z,4Z)-5-amino-2,4-dicyano-5-sulfanyl-penta-2,4-dienoate Ethyl (2Z,4Z)-5-azanyl-2,4-dicyano-5-sulfanyl-penta-2,4-dienoate (2Z,4Z)-5-amino-2,4-dicyano-5-mercaptopenta-2,4-dienoic acid ethyl ester
Wiley ID 1460745