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(4aS,5R,8S)-8-(2-Benzyloxy-1-methyl-ethyl)-5-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
SpectraBase Compound ID DD4b1W09igR
InChI InChI=1S/C21H28O2/c1-15-8-10-20(21-12-18(22)9-11-19(15)21)16(2)13-23-14-17-6-4-3-5-7-17/h3-7,12,15-16,19-20H,8-11,13-14H2,1-2H3/t15-,16?,19+,20+/m1/s1
InChIKey WKQHMSMTLKJFBJ-IUEOMJKZSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JysSW9FL5oc
Name (4aS,5R,8S)-8-[2-(benzyloxy)-1-methyl-ethyl]-5-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-15-8-10-20(21-12-18(22)9-11-19(15)21)16(2)13-23-14-17-6-4-3-5-7-17/h3-7,12,15-16,19-20H,8-11,13-14H2,1-2H3/t15-,16?,19+,20+/m1/s1
InChIKey WKQHMSMTLKJFBJ-IUEOMJKZSA-N
Literature Reference Author S.M.HUI,K.S.NGO,G.D.BROWN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3435(1997)
Literature Reference DOI 10.1039/a702714a
Molecular Weight 312.452 g/mol
Solvent CDCl3
Source File Reference UWRU8054