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Orotic acid monohydrate
SpectraBase Compound ID z8aoG5U4BG
InChI InChI=1S/C5H4N2O4.O/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);
InChIKey YLMHROKBHUFQLG-UHFFFAOYSA-N
Mol Weight 172.096 g/mol
Molecular Formula C5H4N2O5
Exact Mass 172.012021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5j7tjNVwBE
Name OROTIC ACID, MONOHYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4N2O4 H2O
InChI InChI=1S/C5H4N2O4.O/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);
InChIKey YLMHROKBHUFQLG-UHFFFAOYSA-N
Melting Point 242C
Molecular Weight 174.11
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms OROTIC ACID, HYDRATE 6-URACILCARBOXYLIC ACID, HYDRATE 4-PYRIMIDINECARBOXYLIC ACID, 2,6- DIOXO-1,2,3,4-TETRAHYDRO-, HYDRATE