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5-benzyldene-2-thiobarbituric acid

View entire compound with spectra: 1 NMR, 1 FTIR, 1 UV-Vis, and 1 MS (GC)

5-benzyldene-2-thiobarbituric acid
SpectraBase Compound ID 2UroE8ysqez
InChI InChI=1S/C11H8N2O2S/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16)
InChIKey TXGVDOCEVWJSPR-UHFFFAOYSA-N
Mol Weight 232.26 g/mol
Molecular Formula C11H8N2O2S
Exact Mass 232.030649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HStdkDdA4u1
Name 5-(Phenylmethylene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Alternate Name(s) 5-(Phenylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione 5-Benzal-2-thioxo-hexahydropyrimidine-4,6-quinone 5-Benzylidene-2-sulfanylidene-1,3-diazinane-4,6-dione 5-Benzylidene-2-thioxo-dihydro-pyrimidine-4,6-dione 5-Benzylidene-2-thioxo-hexahydropyrimidine-4,6-dione
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Formula C11H8N2O2S
InChI InChI=1S/C11H8N2O2S/c14-9-8(10(15)13-11(16)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14,15,16)
InChIKey TXGVDOCEVWJSPR-UHFFFAOYSA-N
Molecular Weight 232.257 g/mol
SMILES N1C(NC(C(C1=O)=Cc1ccccc1)=O)=S
SPLASH splash10-0006-0900000000-42918103a61b68993e67
Source of Spectrum HC-20-799-0
Wiley ID 1233412