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(1S,5S)-2-Methyl-3-(4-methoxyphenyl)-5-isopropenyl-1-cyclohexene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(1S,5S)-2-Methyl-3-(4-methoxyphenyl)-5-isopropenyl-1-cyclohexene
SpectraBase Compound ID 6RjWeigSYcb
InChI InChI=1S/C17H22O/c1-12(2)15-6-5-13(3)17(11-15)14-7-9-16(18-4)10-8-14/h5,7-10,15,17H,1,6,11H2,2-4H3/t15-,17+/m0/s1
InChIKey FTWNPHSDSJVAHQ-DOTOQJQBSA-N
Mol Weight 242.36 g/mol
Molecular Formula C17H22O
Exact Mass 242.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IHitDX6Cri
Name (1S,5S)-2-Methyl-3-(4-methoxyphenyl)-5-isopropenyl-1-cyclohexene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.167065327 u
Formula C17H22O
InChI InChI=1S/C17H22O/c1-12(2)15-6-5-13(3)17(11-15)14-7-9-16(18-4)10-8-14/h5,7-10,15,17H,1,6,11H2,2-4H3/t15-,17+/m0/s1
InChIKey FTWNPHSDSJVAHQ-DOTOQJQBSA-N
Molecular Weight 242.362 g/mol
SMILES [C@@]1(C[C@@](C(=C)C)(CC=C1C)[H])(C=1C=CC(=CC1)OC)[H]