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5-Iodouracil

View entire compound with spectra: 10 NMR, 1 FTIR, 1 UV-Vis, and 3 MS (GC)

5-Iodouracil
SpectraBase Compound ID KL67Xj4qlpR
InChI InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey KSNXJLQDQOIRIP-UHFFFAOYSA-N
Mol Weight 237.98 g/mol
Molecular Formula C4H3IN2O2
Exact Mass 237.923922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UxsXlrAraQ
Name 5-Iodouracil
CAS Registry Number 696-07-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H3IN2O2
InChI InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey KSNXJLQDQOIRIP-UHFFFAOYSA-N
Molecular Weight 237.984 g/mol
SMILES N1C(NC=C(C1=O)I)=O
SPLASH splash10-000j-0980000000-579576834d9e473393e1
Source of Spectrum C5-2004-1872-0
Synonyms 2,4(1H,3H)-Pyrimidinedione, 5-iodo- 5-Iodo-2,4(1H,3H)-pyrimidinedione Uracil, 5-iodo- 5-iodo-5H-pyrimidine-2,4-dione 5-iodanyl-5H-pyrimidine-2,4-dione
Wiley ID 1617059