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[(1S,3R,4R,5S)-3-[2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]-4-HYDROXY-2-OXABICYCLO-[3.1.0]-HEX-1-YL]-METHYL-BENZOATE
SpectraBase Compound ID 3uKBwmMSEuW
InChI InChI=1S/C17H16N2O6/c20-12-6-7-19(16(23)18-12)14-13(21)11-8-17(11,25-14)9-24-15(22)10-4-2-1-3-5-10/h1-7,11,13-14,21H,8-9H2,(H,18,20,23)/t11-,13+,14+,17+/m0/s1
InChIKey NHKDUGYTGCZFIV-ZCTGUTNYSA-N
Mol Weight 344.32 g/mol
Molecular Formula C17H16N2O6
Exact Mass 344.100836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GflcrXcLCgP
Name [(1S,3R,4R,5S)-3-[2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]-4-HYDROXY-2-OXABICYCLO-[3.1.0]-HEX-1-YL]-METHYL-BENZOATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16N2O6
InChI InChI=1S/C17H16N2O6/c20-12-6-7-19(16(23)18-12)14-13(21)11-8-17(11,25-14)9-24-15(22)10-4-2-1-3-5-10/h1-7,11,13-14,21H,8-9H2,(H,18,20,23)/t11-,13+,14+,17+/m0/s1
InChIKey NHKDUGYTGCZFIV-ZCTGUTNYSA-N
Literature Reference Author J.GAGNERON,G.GOSSELIN,C.MATHE
Literature Reference Citation EUR.J.ORG.CHEM.,4891(2006)
Molecular Weight 344.324 g/mol
Sample ID 44330
Solvent DMSO-D6