John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=81a01ezjAOT SpectraBase Spectrum ID=1irLb2XZZaO

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7-[(4R,5R)-4,5-BIS-(BENZYLOXYMETHYL)-2-YL-BICYCLO-[3.2.0]-HEPTAN-2-ONE

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7-[(4R,5R)-4,5-BIS-(BENZYLOXYMETHYL)-2-YL-BICYCLO-[3.2.0]-HEPTAN-2-ONE
SpectraBase Compound ID 81a01ezjAOT
InChI InChI=1S/C26H30O5/c27-22-12-11-20-13-21(25(20)22)26-30-23(16-28-14-18-7-3-1-4-8-18)24(31-26)17-29-15-19-9-5-2-6-10-19/h1-10,20-21,23-26H,11-17H2/t20-,21-,23?,24?,25-,26?/m0/s1
InChIKey GSSBCOMYUZCUSW-JJGVDBQNSA-N
Mol Weight 422.52 g/mol
Molecular Formula C26H30O5
Exact Mass 422.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1irLb2XZZaO
Name 7-[(4R,5R)-4,5-BIS-(BENZYLOXYMETHYL)-2-YL-BICYCLO-[3.2.0]-HEPTAN-2-ONE
Compound Number 5D
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30O5
InChI InChI=1S/C26H30O5/c27-22-12-11-20-13-21(25(20)22)26-30-23(16-28-14-18-7-3-1-4-8-18)24(31-26)17-29-15-19-9-5-2-6-10-19/h1-10,20-21,23-26H,11-17H2/t20-,21-,23?,24?,25-,26?/m0/s1
InChIKey GSSBCOMYUZCUSW-JJGVDBQNSA-N
Literature Reference Author C.BONVALET,J.BOUQUANT,A.FEIGENBAUM,J.P.PETE,D.SCHOLLER
Literature Reference Citation BULL.SOC.CHIM.FR.,131,687(1994)
Molecular Weight 422.521 g/mol
Solvent CDCl3
Source File Reference UWPR1144
SpectraBase Batch ID Jy0qta4deJ8