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4-Thiouracil

View entire compound with spectra: 3 NMR, 1 FTIR, 1 Raman, and 2 MS (GC)

4-Thiouracil
SpectraBase Compound ID 76uThZwwt2E
InChI InChI=1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
InChIKey OVONXEQGWXGFJD-UHFFFAOYSA-N
Mol Weight 128.15 g/mol
Molecular Formula C4H4N2OS
Exact Mass 128.004434 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Ycx4umfUMC
Name 4-Thiouracil
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 440736
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H4N2OS
InChI InChI=1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
InChIKey OVONXEQGWXGFJD-UHFFFAOYSA-N
Molecular Weight 128.149 g/mol
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Hydroxy-4-mercaptopyrimidine
Wiley ID SIAL_13CNMR_014446