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[(1S,5S)-5-tert-butyl-2-phenyl-cyclohex-2-en-1-yl] butanoate
SpectraBase Compound ID AZG7oLBSy1I
InChI InChI=1S/C20H28O2/c1-5-9-19(21)22-18-14-16(20(2,3)4)12-13-17(18)15-10-7-6-8-11-15/h6-8,10-11,13,16,18H,5,9,12,14H2,1-4H3/t16-,18-/m0/s1
InChIKey UJOQDTGONNWJEV-WMZOPIPTSA-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 9Bs8vCmcsxm
Name [(1S,5S)-5-tert-butyl-2-phenyl-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/c1-5-9-19(21)22-18-14-16(20(2,3)4)12-13-17(18)15-10-7-6-8-11-15/h6-8,10-11,13,16,18H,5,9,12,14H2,1-4H3/t16-,18-/m0/s1
InChIKey UJOQDTGONNWJEV-WMZOPIPTSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
SMILES c1cccc(c1)C=1[C@](C[C@](CC1)(C(C)(C)C)[H])(OC(CCC)=O)[H]
SPLASH splash10-0a4i-0910000000-457fded21bd152faf3e6
Sample Comments dr = 60:40
Source of Spectrum A1-23-SM8-5ba
Wiley ID 1867982