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2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid hydrate
SpectraBase Compound ID KwOlu6O0C85
InChI InChI=1S/C5H4N2O4.H2O/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H2
InChIKey YXUZGLGRBBHYFZ-UHFFFAOYSA-N
Mol Weight 174.112 g/mol
Molecular Formula C5H6N2O5
Exact Mass 174.027671 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1DMCe0NqmvA
Name 1,2,3,6-TETRAHYDRO-2,6-DIOXO-4-PYRIMIDINECARBOXYLIC ACID, MONOHYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 50887-69-9
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4N2O4 + H2O
InChI InChI=1S/C5H4N2O4.H2O/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H2
InChIKey YXUZGLGRBBHYFZ-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point >300C
Molecular Weight 174.11
Solvent DMSO-d6; Reference=TMS; Temperature 297K