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S-phenyl (E)-4-acetyl-6-oxo-8-phenylthio-4-azaoct-2-ene-thioate
SpectraBase Compound ID 2NF3HKWI8vk
InChI InChI=1S/C21H21NO3S2/c1-17(23)22(14-12-21(25)27-20-10-6-3-7-11-20)16-18(24)13-15-26-19-8-4-2-5-9-19/h2-12,14H,13,15-16H2,1H3/b14-12+
InChIKey MXKSKCLHFLAILC-WYMLVPIESA-N
Mol Weight 399.52 g/mol
Molecular Formula C21H21NO3S2
Exact Mass 399.096286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29TyuxK28lG
Name S-phenyl (E)-4-acetyl-6-oxo-8-phenylthio-4-azaoct-2-ene-thioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO3S2
InChI InChI=1S/C21H21NO3S2/c1-17(23)22(14-12-21(25)27-20-10-6-3-7-11-20)16-18(24)13-15-26-19-8-4-2-5-9-19/h2-12,14H,13,15-16H2,1H3/b14-12+
InChIKey MXKSKCLHFLAILC-WYMLVPIESA-N
Molecular Weight 399.523 g/mol
SMILES C(N(\C=C\C(Sc1ccccc1)=O)CC(=O)CCSc1ccccc1)(=O)C
SPLASH splash10-0007-1290000000-67ed7fd9024232f80423
Source of Spectrum KC-1982-1514-0
Synonyms S-phenyl (2E)-3-{acetyl[2-oxo-4-(phenylsulfanyl)butyl]amino}-2-propenethioate
Wiley ID 1368937