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(1R,2R,4S)-(+)-2-[(2,5-Dimethoxyphenyl)methyl]-4-(1-ketoethyl)-1,2,4-trimethylcyclohexane
SpectraBase Compound ID 3Szog32EJ8f
InChI InChI=1S/C20H30O3/c1-14-9-10-19(3,15(2)21)13-20(14,4)12-16-11-17(22-5)7-8-18(16)23-6/h7-8,11,14H,9-10,12-13H2,1-6H3/t14-,19+,20-/m1/s1
InChIKey QWTRQWFHLANGPW-VOBQZIQPSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRnEj9y3foY
Name (1R,2R,4S)-(+)-2-[(2,5-Dimethoxyphenyl)methyl]-4-(1-ketoethyl)-1,2,4-trimethylcyclohexane
Alternate Name(s) 1-[(1S,3R,4R)-3-(2,5-dimethoxybenzyl)-1,3,4-trimethylcyclohexyl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-14-9-10-19(3,15(2)21)13-20(14,4)12-16-11-17(22-5)7-8-18(16)23-6/h7-8,11,14H,9-10,12-13H2,1-6H3/t14-,19+,20-/m1/s1
InChIKey QWTRQWFHLANGPW-VOBQZIQPSA-N
Molecular Weight 318.457 g/mol
SMILES [C@@]1(C[C@](C(=O)C)(C)CC[C@]1(C)[H])(Cc1c(ccc(c1)OC)OC)C
SPLASH splash10-0lk9-2900000000-44700574e4a5e7607d41
Source of Spectrum J-61-8779-27
Wiley ID 1318854