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(1S,3S,4R,5S)-3-HYDROXY-4-HYDROXYMETHYL-1-(5-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-1-YL)-BICYCLO-[3.1.0]-HEXANE
SpectraBase Compound ID Gqi8ePMpRe8
InChI InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)12-2-8(12)7(5-15)9(16)3-12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)
InChIKey XRMLXZVSFIBRRJ-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C12H16N2O4
Exact Mass 252.111007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vE3K4dHEtY
Name (1S,3S,4R,5S)-3-HYDROXY-4-HYDROXYMETHYL-1-(5-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-1-YL)-BICYCLO-[3.1.0]-HEXANE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16N2O4
InChI InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)12-2-8(12)7(5-15)9(16)3-12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)
InChIKey XRMLXZVSFIBRRJ-UHFFFAOYSA-N
Literature Reference Author A.EZZITOUNI,V.E.MARQUEZ
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1073(1997)
Literature Reference DOI 10.1039/a604352f
Molecular Weight 252.270 g/mol
Solvent DMSO-D6
Source File Reference UWRU9823