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[(1S)-2-(4-tert-butylphenyl)cyclohex-2-en-1-yl] butanoate
SpectraBase Compound ID FGBQnEmjl1J
InChI InChI=1S/C20H28O2/c1-5-8-19(21)22-18-10-7-6-9-17(18)15-11-13-16(14-12-15)20(2,3)4/h9,11-14,18H,5-8,10H2,1-4H3/t18-/m0/s1
InChIKey VCIBGLHCSDDWAX-SFHVURJKSA-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 BLmbOywwfKo
Name [(1S)-2-(4-tert-butylphenyl)cyclohex-2-en-1-yl] butanoate
Appearance Viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-5-8-19(21)22-18-10-7-6-9-17(18)15-11-13-16(14-12-15)20(2,3)4/h9,11-14,18H,5-8,10H2,1-4H3/t18-/m0/s1
InChIKey VCIBGLHCSDDWAX-SFHVURJKSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
SMILES c1(ccc(cc1)C1=CCCC[C@@]1(OC(CCC)=O)[H])C(C)(C)C
SPLASH splash10-01ot-0950000000-361d4912ebc3b77052e0
Source of Spectrum A1-23-SM10-5ia
Wiley ID 1867990