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OROTIC-2-14C ACID, MONOHYDRATE

View entire compound with spectra: 1 NMR

OROTIC-2-14C ACID, MONOHYDRATE
SpectraBase Compound ID 4XD1Wllb9ng
InChI InChI=1S/4C5H4N2O4.4Na.4H2O/c4*8-3-1-2(4(9)10)6-5(11)7-3;;;;;;;;/h4*1H,(H,9,10)(H2,6,7,8,11);;;;;4*1H2/q;;;;4*+1;;;;/p-4
InChIKey WDDOMNXKPAGYET-UHFFFAOYSA-J
Mol Weight 574.23307713 g/mol
Molecular Formula C15H10N6Na4O13
Exact Mass 573.989662 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GQ9Z1AFnYB5
Name OROTIC-2-14C ACID, MONOHYDRATE
Source of Sample Tamayo, Instituto Alonso Barba, Madrid, Spain
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4N2O4 H2O
InChI InChI=1S/4C5H4N2O4.4Na.4H2O/c4*8-3-1-2(4(9)10)6-5(11)7-3;;;;;;;;/h4*1H,(H,9,10)(H2,6,7,8,11);;;;;4*1H2/q;;;;4*+1;;;;/p-4
InChIKey WDDOMNXKPAGYET-UHFFFAOYSA-J
Melting Point 242C
Molecular Weight 174.11
Solvent Deuterium oxide/NaOD; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms OROTIC-2-C<14 ACID, HYDRATE