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2,4(1H,3H)-Pyrimidinedione, 6-iodo-5-methyl-
SpectraBase Compound ID FEEN7OmGd3Z
InChI InChI=1S/C5H5IN2O2/c1-2-3(6)7-5(10)8-4(2)9/h1H3,(H2,7,8,9,10)
InChIKey XCOHNQGWGYTROQ-UHFFFAOYSA-N
Mol Weight 252.01 g/mol
Molecular Formula C5H5IN2O2
Exact Mass 251.939572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9YkQqSfXH4
Name 2,4(1H,3H)-Pyrimidinedione, 6-iodo-5-methyl-
CAS Registry Number 31458-38-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5IN2O2
InChI InChI=1S/C5H5IN2O2/c1-2-3(6)7-5(10)8-4(2)9/h1H3,(H2,7,8,9,10)
InChIKey XCOHNQGWGYTROQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol063136w
Molecular Weight 252.011 g/mol
SMILES N1C(C(=C(NC1=O)I)C)=O
SPLASH splash10-0udi-8090000000-1547b5a68775886b4f9c
Source of Spectrum A1-9-1639/SMS29-6a
Synonyms 6-Iodanyl-5-methyl-1H-pyrimidine-2,4-dione 6-Iodo-5-methyl-1H-pyrimidine-2,4-dione 6-Iodo-5-methyl-uracil Thymine, 6-iodo- 6-Iodo-5-methylpyrimidine-2,4(1H,3H)-dione 6-Iodothymine
Wiley ID 1757968