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Hydrazinecarbothioamide, 2-(5-oxo-1,3,5-triphenyl-3-pentenylidene)-
SpectraBase Compound ID 3JezgibnWV6
InChI InChI=1S/C24H21N3OS/c25-24(29)27-26-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(28)20-14-8-3-9-15-20/h1-15,17H,16H2,(H3,25,27,29)/b21-17+,26-22-
InChIKey IZCNSROBOCYASU-TYJXCQJSSA-N
Mol Weight 399.51 g/mol
Molecular Formula C24H21N3OS
Exact Mass 399.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ImCAN9jhPX
Name Hydrazinecarbothioamide, 2-(5-oxo-1,3,5-triphenyl-3-pentenylidene)-
Alternate Name(s) (2E,5Z)-1,3,5-triphenyl-2-pentene-1,5-dione 5-thiosemicarbazone 5-Oxo-1,3,5-triphenylpent-3-ene-1-thiosemicarbazone
CAS Registry Number 95921-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21N3OS
InChI InChI=1S/C24H21N3OS/c25-24(29)27-26-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(28)20-14-8-3-9-15-20/h1-15,17H,16H2,(H3,25,27,29)/b21-17+,26-22-
InChIKey IZCNSROBOCYASU-TYJXCQJSSA-N
Molecular Weight 399.512 g/mol
SMILES N(C(=S)N)\N=C\(C\C(=C/C(=O)c1ccccc1)c1ccccc1)c1ccccc1
SPLASH splash10-0kdi-5903000000-b65ee9f762d0127090d2
Source of Spectrum F-40-4905-0
Wiley ID 1369053