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5-Fluoroorotic acid hydrate

View entire compound with spectra: 2 NMR, and 1 FTIR

5-Fluoroorotic acid hydrate
SpectraBase Compound ID AhSajwneXzg
InChI InChI=1S/C5H3FN2O4.O/c6-1-2(4(10)11)7-5(12)8-3(1)9;/h(H,10,11)(H2,7,8,9,12);
InChIKey HXWYJIFBZHMDPH-UHFFFAOYSA-N
Mol Weight 190.086 g/mol
Molecular Formula C5H3FN2O5
Exact Mass 190.002599 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ElNvjLIQCPZ
Name 5-Fluoroorotic acid hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 425133
CAS Registry Number 207291-81-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H3FN2O5
InChI InChI=1S/C5H3FN2O4.O/c6-1-2(4(10)11)7-5(12)8-3(1)9;/h(H,10,11)(H2,7,8,9,12);
InChIKey HXWYJIFBZHMDPH-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2,6-Dihydroxy-5-fluoropyrimidine-4-carboxylic acid; 5-Fluorouracil-4-carboxylic acid
Wiley ID SIAL_1HNMR_009371