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5-Fluorocytosine

View entire compound with spectra: 8 NMR, 5 FTIR, and 1 Raman

5-Fluorocytosine
SpectraBase Compound ID 1bSp3fcxCqV
InChI InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKey XRECTZIEBJDKEO-UHFFFAOYSA-N
Mol Weight 129.09 g/mol
Molecular Formula C4H4FN3O
Exact Mass 129.03384 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KJMRES6RJXF
Name 5-Fluorocytosine
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 271594
CAS Registry Number 2022-85-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H4FN3O
InChI InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChIKey XRECTZIEBJDKEO-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent D2O & DCl
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-amino-5-fluoro-2(1H)-pyrimidinone; Flucytosine
Wiley ID SIAL_13CNMR_004929