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5-iodo-1-[(1S,2R)-2-methylolcyclopentyl]pyrimidine-2,4-quinone
SpectraBase Compound ID 7TVJzF7fIT3
InChI InChI=1S/C10H13IN2O3/c11-7-4-13(10(16)12-9(7)15)8-3-1-2-6(8)5-14/h4,6,8,14H,1-3,5H2,(H,12,15,16)/t6-,8-/m0/s1
InChIKey FPVKYQHLGQGPJA-XPUUQOCRSA-N
Mol Weight 336.13 g/mol
Molecular Formula C10H13IN2O3
Exact Mass 335.997087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkB7JqbOYJW
Name 1-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-iodanyl-pyrimidine-2,4-dione
Alternate Name(s) 1-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-iodo-pyrimidine-2,4-dione 5-iodo-1-[(1S,2R)-2-methylolcyclopentyl]pyrimidine-2,4-quinone
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Formula C10H13IN2O3
InChI InChI=1S/C10H13IN2O3/c11-7-4-13(10(16)12-9(7)15)8-3-1-2-6(8)5-14/h4,6,8,14H,1-3,5H2,(H,12,15,16)/t6-,8-/m0/s1
InChIKey FPVKYQHLGQGPJA-XPUUQOCRSA-N
Molecular Weight 336.129 g/mol
SMILES N1C(C(=CN([C@@]2([C@](CO)(CCC2)[H])[H])C1=O)I)=O
SPLASH splash10-014i-9010000000-c2fbae0885dfd7a9f67d
Source of Spectrum SO-0-1535-13
Wiley ID 878660