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5-(4-nitrobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID FoWJkJSpr4H
InChI InChI=1S/C11H7N3O4S/c15-9-8(10(16)13-11(19)12-9)5-6-1-3-7(4-2-6)14(17)18/h1-5H,(H2,12,13,15,16,19)
InChIKey NUXLIUKKUOCVQG-UHFFFAOYSA-N
Mol Weight 277.25 g/mol
Molecular Formula C11H7N3O4S
Exact Mass 277.015727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CI0UZBuIJrF
Name 5-(4-nitrobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7N3O4S
InChI InChI=1S/C11H7N3O4S/c15-9-8(10(16)13-11(19)12-9)5-6-1-3-7(4-2-6)14(17)18/h1-5H,(H2,12,13,15,16,19)
InChIKey NUXLIUKKUOCVQG-UHFFFAOYSA-N
Molecular Weight 277.254 g/mol
SMILES N1C(NC(C(C1=O)=Cc1ccc(N(=O)=O)cc1)=O)=S
SPLASH splash10-0ue9-0940000000-faaad17d07f922995b1e
Source of Spectrum HC-20-799-0
Synonyms 5-[(4-nitrophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1280775