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5-iodo-1-[[(1R,2R)-2-methylolcyclopentyl]methyl]pyrimidine-2,4-quinone
SpectraBase Compound ID HRv6lcpPqjK
InChI InChI=1S/C11H15IN2O3/c12-9-5-14(11(17)13-10(9)16)4-7-2-1-3-8(7)6-15/h5,7-8,15H,1-4,6H2,(H,13,16,17)/t7-,8-/m0/s1
InChIKey WXJHFEJWDNCTCM-YUMQZZPRSA-N
Mol Weight 350.16 g/mol
Molecular Formula C11H15IN2O3
Exact Mass 350.012737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRrSkE7YgwJ
Name 5-iodo-1-[[(1R,2R)-2-methylolcyclopentyl]methyl]pyrimidine-2,4-quinone
Compound Number 12
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Formula C11H15IN2O3
InChI InChI=1S/C11H15IN2O3/c12-9-5-14(11(17)13-10(9)16)4-7-2-1-3-8(7)6-15/h5,7-8,15H,1-4,6H2,(H,13,16,17)/t7-,8-/m0/s1
InChIKey WXJHFEJWDNCTCM-YUMQZZPRSA-N
Literature Reference Author M.TEIJEIRA,E.URIARTE
Literature Reference Citation MAGN.RES.CHEM.,35,348(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199705)35:5<348::aid-omr82>3.3.co;2-4
Molecular Weight 350.156 g/mol
Solvent DMSO-D6
Source File Reference UWCP2704