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5-iodo-1-[(1S,2S)-2-methylolcyclopentyl]pyrimidine-2,4-quinone
SpectraBase Compound ID EpZAXPN84QS
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+/m1/s1
InChIKey FPVKYQHLGQGPJA-SVRRBLITSA-N
Mol Weight 336.13 g/mol
Molecular Formula C10H13IN2O3
Exact Mass 335.997087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5a01CClLIl
Name 5-iodo-1-[(1S,2S)-2-methylolcyclopentyl]pyrimidine-2,4-quinone
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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+/m1/s1
InChIKey FPVKYQHLGQGPJA-SVRRBLITSA-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 336.129 g/mol
Solvent DMSO-D6
Source File Reference UWCP2700