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METHYL-[(1'S,5A'S,9'R,9A'S)-1',3',3',5A',9'-PENTAMETHYL-2',3',5A',6',7',8',9',9A'-OCTAHYDRO-1H-BENZ-[E]-INDEN-1'-YL]-ACETATE

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METHYL-[(1'S,5A'S,9'R,9A'S)-1',3',3',5A',9'-PENTAMETHYL-2',3',5A',6',7',8',9',9A'-OCTAHYDRO-1H-BENZ-[E]-INDEN-1'-YL]-ACETATE
SpectraBase Compound ID F99m7dwCxxi
InChI InChI=1S/C21H32O2/c1-14-8-7-10-20(4)11-9-15-18(17(14)20)21(5,12-16(22)23-6)13-19(15,2)3/h9,11,14,17H,7-8,10,12-13H2,1-6H3
InChIKey JJDCFJLWAXMOSA-UHFFFAOYSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMQyJzeQstI
Name Methyl-[(1'S,5a'S,9'R,9a'S)-1',3',3',5a',9'-pentamethyl-2',3',5a',6',7',8',9',9a'-octahydro-1H-benz-[E]-inden-1'-yl]-ace
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-14-8-7-10-20(4)11-9-15-18(17(14)20)21(5,12-16(22)23-6)13-19(15,2)3/h9,11,14,17H,7-8,10,12-13H2,1-6H3
InChIKey JJDCFJLWAXMOSA-UHFFFAOYSA-N
Instrument Name SF = 060 MHz
Literature Reference Austr. J. Chem. 40, 1795 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3