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4,9-Dioxo-N,3-diphenyl-4,9-dihydro-1H-benzo[f]indazole-1-carbothioamide
SpectraBase Compound ID EulnaFJ0rcb
InChI InChI=1S/C24H15N3O2S/c28-22-17-13-7-8-14-18(17)23(29)21-19(22)20(15-9-3-1-4-10-15)26-27(21)24(30)25-16-11-5-2-6-12-16/h1-14H,(H,25,30)
InChIKey JUJMYVJPBTVHFK-UHFFFAOYSA-N
Mol Weight 409.46 g/mol
Molecular Formula C24H15N3O2S
Exact Mass 409.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53FzPrh7gW
Name 4,9-Dioxo-N,3-diphenyl-4,9-dihydro-1H-benzo[f]indazole-1-carbothioamide
Appearance Reddish brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H15N3O2S
InChI InChI=1S/C24H15N3O2S/c28-22-17-13-7-8-14-18(17)23(29)21-19(22)20(15-9-3-1-4-10-15)26-27(21)24(30)25-16-11-5-2-6-12-16/h1-14H,(H,25,30)
InChIKey JUJMYVJPBTVHFK-UHFFFAOYSA-N
Instrument Name Varian MAT 311
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0008.f26
Molecular Weight 409.463 g/mol
SMILES N(C([n]1c2C(c3ccccc3C(c2c(n1)-c1ccccc1)=O)=O)=S)c1ccccc1
SPLASH splash10-0zi9-6920100000-ae9378dd9f8b69b4316c
Source of Spectrum ARK-2007-275-15a
Wiley ID 1868959