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5-(3-hydroxycarbonylbenzylidene)-2-thiobarituric acid
SpectraBase Compound ID 90pQx0HCVdo
InChI InChI=1S/C12H8N2O4S/c15-9-8(10(16)14-12(19)13-9)5-6-2-1-3-7(4-6)11(17)18/h1-5H,(H,17,18)(H2,13,14,15,16,19)
InChIKey WHAUXQXFNLINJU-UHFFFAOYSA-N
Mol Weight 276.27 g/mol
Molecular Formula C12H8N2O4S
Exact Mass 276.020478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14fYDINMu8j
Name 5-(3-hydroxycarbonylbenzylidene)-2-thiobarituric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N2O4S
InChI InChI=1S/C12H8N2O4S/c15-9-8(10(16)14-12(19)13-9)5-6-2-1-3-7(4-6)11(17)18/h1-5H,(H,17,18)(H2,13,14,15,16,19)
InChIKey WHAUXQXFNLINJU-UHFFFAOYSA-N
Molecular Weight 276.266 g/mol
SMILES N1C(NC(C(=Cc2cc(C(=O)O)ccc2)C1=O)=O)=S
SPLASH splash10-002u-0910000000-88f8b052cc7d3f4ee245
Source of Spectrum HC-20-799-0
Synonyms 3-[(4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]benzoic acid 3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoic acid 3-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid 3-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]benzoic acid
Wiley ID 1279602