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1,3-Diphenyl-2-thiobarbituric acid

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

1,3-Diphenyl-2-thiobarbituric acid
SpectraBase Compound ID KnfVdFypslJ
InChI InChI=1S/C16H12N2O2S/c19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKey ZFIMUSUHAOSEIE-UHFFFAOYSA-N
Mol Weight 296.34 g/mol
Molecular Formula C16H12N2O2S
Exact Mass 296.061949 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6hf8KS9W7Ky
Name 1,3-Diphenyl-2-thiobarbituric acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 465763
CAS Registry Number 35221-12-6
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N2O2S
InChI 1S/C16H12N2O2S/c19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKey ZFIMUSUHAOSEIE-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Wiley ID SIAL_13CNMR_010219