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2-THIOOROTIC ACID
SpectraBase Compound ID 7eblwIOMaOA
InChI InChI=1S/2C5H4N2O3S.Na/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+1/p-1
InChIKey GSYVMTGWNFBMGW-UHFFFAOYSA-M
Mol Weight 366.3 g/mol
Molecular Formula C10H7N4NaO6S2
Exact Mass 365.970471 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2YGzykW6zjA
Name 2-THIOOROTIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4N2O3S
InChI InChI=1S/2C5H4N2O3S.Na/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+1/p-1
InChIKey GSYVMTGWNFBMGW-UHFFFAOYSA-M
Molecular Weight 172.16
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms OROTIC ACID, 2-THIO-, 4-PYRIMIDINECARBOXYLIC ACID, 6-OXO- 1,2,3,6-TETRAHYDRO-2-THIOXO-, 4-PYRIMIDINECARBOXYLIC ACID, 1,6- DIHYDRO-2-MERCAPTO-6-OXO-,