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(1'R,2'R,4'S,5'S)-1-(4-HYDROXYMETHYL-3-OXABICYCLO-[3.2.0]-HEPT-2-YL)-THYMINE

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(1'R,2'R,4'S,5'S)-1-(4-HYDROXYMETHYL-3-OXABICYCLO-[3.2.0]-HEPT-2-YL)-THYMINE
SpectraBase Compound ID 5kO0vIW1ztM
InChI InChI=1S/C12H16N2O4/c1-6-4-14(12(17)13-10(6)16)11-8-3-2-7(8)9(5-15)18-11/h4,7-9,11,15H,2-3,5H2,1H3,(H,13,16,17)/t7-,8+,9+,11+/m0/s1
InChIKey DZGOGBFXZYFHCG-YSSBGUOXSA-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 6ID3H0nHqXt
Name (1'R,2'R,4'S,5'S)-1-(4-HYDROXYMETHYL-3-OXABICYCLO-[3.2.0]-HEPT-2-YL)-THYMINE
Compound Number 1
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(12(17)13-10(6)16)11-8-3-2-7(8)9(5-15)18-11/h4,7-9,11,15H,2-3,5H2,1H3,(H,13,16,17)/t7-,8+,9+,11+/m0/s1
InChIKey DZGOGBFXZYFHCG-YSSBGUOXSA-N
Literature Reference Author R.ALIBES,A.ALVAREZ-LARENA,P.D.MARCH,M.FIGUEREDO,J.FONT,T.PAR ELLA,A.RUSTULLET
Literature Reference Citation ORG.LETTERS,8,491(2006)
Literature Reference DOI 10.1021/ol052794y
Molecular Weight 252.270 g/mol
Sample ID 58432
Solvent CDCl3