John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=12HXub33YQR SpectraBase Spectrum ID=5Kud3YEgGSQ

(accessed ).
[(1S,3R,4R,5S)-4-HYDROXY-3-[5-METHYL-2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]-2-OXABICYCLO-[3.1.0]-HEX-1-YL]-METHYL-BENZOATE
SpectraBase Compound ID 12HXub33YQR
InChI InChI=1S/C18H18N2O6/c1-10-8-20(17(24)19-14(10)22)15-13(21)12-7-18(12,26-15)9-25-16(23)11-5-3-2-4-6-11/h2-6,8,12-13,15,21H,7,9H2,1H3,(H,19,22,24)/t12-,13+,15+,18+/m0/s1
InChIKey NOTKRBCPJAYVBM-YRWGSWDYSA-N
Mol Weight 358.35 g/mol
Molecular Formula C18H18N2O6
Exact Mass 358.116487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Kud3YEgGSQ
Name [(1S,3R,4R,5S)-4-HYDROXY-3-[5-METHYL-2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]-2-OXABICYCLO-[3.1.0]-HEX-1-YL]-METHYL-BENZOATE
Compound Number 4
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N2O6
InChI InChI=1S/C18H18N2O6/c1-10-8-20(17(24)19-14(10)22)15-13(21)12-7-18(12,26-15)9-25-16(23)11-5-3-2-4-6-11/h2-6,8,12-13,15,21H,7,9H2,1H3,(H,19,22,24)/t12-,13+,15+,18+/m0/s1
InChIKey NOTKRBCPJAYVBM-YRWGSWDYSA-N
Literature Reference Author J.GAGNERON,G.GOSSELIN,C.MATHE
Literature Reference Citation EUR.J.ORG.CHEM.,4891(2006)
Molecular Weight 358.351 g/mol
Sample ID 44331
Solvent DMSO-D6
SpectraBase Batch ID E6rimBZoWFe