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1-[(1R,5S)-5-methoxy-2,2,4-trimethyl-3-phenethyl-cyclohex-3-en-1-yl]ethanone
SpectraBase Compound ID K50Vh0eg2I2
InChI InChI=1S/C20H28O2/c1-14-17(12-11-16-9-7-6-8-10-16)20(3,4)18(15(2)21)13-19(14)22-5/h6-10,18-19H,11-13H2,1-5H3/t18-,19-/m0/s1
InChIKey OTADUSGEUQCYQA-OALUTQOASA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 114W7hlXyQx
Name 1-[(1R,5S)-5-methoxy-2,2,4-trimethyl-3-phenethyl-cyclohex-3-en-1-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-14-17(12-11-16-9-7-6-8-10-16)20(3,4)18(15(2)21)13-19(14)22-5/h6-10,18-19H,11-13H2,1-5H3/t18-,19-/m0/s1
InChIKey OTADUSGEUQCYQA-OALUTQOASA-N
Molecular Weight 300.442 g/mol
SMILES C=1(C([C@@](C(=O)C)([H])C[C@@](C1C)(OC)[H])(C)C)CCc1ccccc1
SPLASH splash10-0f6x-7930000000-87145802ae5efb59a6f5
Source of Spectrum KC-0-3144-8
Synonyms 1-[(1R,5S)-5-methoxy-2,2,4-trimethyl-3-(2-phenylethyl)-1-cyclohex-3-enyl]ethanone
Wiley ID 826661