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(1R,5S,6R,7S)-7-HYDROXY-6-HYDROXYMETHYL-2-OXABICYCLO-[3.3.2]-OCTAN-3-ONE
SpectraBase Compound ID CeyFOaSBxLW
InChI InChI=1S/C8H12O4/c9-3-5-4-1-8(11)12-7(4)2-6(5)10/h4-7,9-10H,1-3H2/t4-,5-,6-,7+/m1/s1
InChIKey VYTZWRCSPHQSFX-GBNDHIKLSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97AabTETlLK
Name (1S,5R,6S,7R)-7-HYDROXY-6-HYDROXYMETHYL-2-OXABICYCLO-[3.3.2]-OCTAN-3-ONE
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c9-3-5-4-1-8(11)12-7(4)2-6(5)10/h4-7,9-10H,1-3H2/t4-,5-,6-,7+/m1/s1
InChIKey VYTZWRCSPHQSFX-GBNDHIKLSA-N
Literature Reference Author B.RONDOT,T.DURAND,J.P.VIDAL,J.P.GIRARD,J.C.ROSSI
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1589(1995)
Literature Reference DOI 10.1039/p29950001589
Molecular Weight 172.181 g/mol
Solvent CDCl3
Source File Reference WANG860