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(N'-anilino-N-phenylimino-carbamimidoyl) N-(4-nitroanilino)-2-oxo-propanimidothioate
SpectraBase Compound ID 9fcABYXi4m9
InChI InChI=1S/C22H19N7O3S/c1-16(30)21(26-23-19-12-14-20(15-13-19)29(31)32)33-22(27-24-17-8-4-2-5-9-17)28-25-18-10-6-3-7-11-18/h2-15,23-24H,1H3
InChIKey HIFOIBDOZASUEV-UHFFFAOYSA-N
Mol Weight 461.5 g/mol
Molecular Formula C22H19N7O3S
Exact Mass 461.127009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8g6RyW9lTDS
Name (N'-anilino-N-phenylimino-carbamimidoyl) N-(4-nitroanilino)-2-oxo-propanimidothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N7O3S
InChI InChI=1S/C22H19N7O3S/c1-16(30)21(26-23-19-12-14-20(15-13-19)29(31)32)33-22(27-24-17-8-4-2-5-9-17)28-25-18-10-6-3-7-11-18/h2-15,23-24H,1H3
InChIKey HIFOIBDOZASUEV-UHFFFAOYSA-N
Instrument Name Shimadzu QP-2010
Ionization Type EI
Literature Reference DOI 10.1002/aoc.5886
Molecular Weight 461.500 g/mol
SMILES N(N=C(SC(=NNc1ccc([N+](=O)[O-])cc1)C(C)=O)N=Nc1ccccc1)c1ccccc1
SPLASH splash10-0560-9407600000-dacf903cbf385fdc8613
Source of Spectrum AOC-34-SM6-3e
Wiley ID 1855714