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[(1S)-5-tert-butyl-2-phenyl-cyclohex-2-en-1-yl] acetate
SpectraBase Compound ID KlgncD7Oeqt
InChI InChI=1S/C18H24O2/c1-13(19)20-17-12-15(18(2,3)4)10-11-16(17)14-8-6-5-7-9-14/h5-9,11,15,17H,10,12H2,1-4H3/t15?,17-/m0/s1
InChIKey JJRACKPEBAGWIP-LWKPJOBUSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1R9tDxSxxbI
Name [(1S)-5-tert-butyl-2-phenyl-cyclohex-2-en-1-yl] acetate
Appearance Viscous oil
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Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-13(19)20-17-12-15(18(2,3)4)10-11-16(17)14-8-6-5-7-9-14/h5-9,11,15,17H,10,12H2,1-4H3/t15?,17-/m0/s1
InChIKey JJRACKPEBAGWIP-LWKPJOBUSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
Molecular Weight 272.388 g/mol
SMILES c1ccc(cc1)C1=CCC(C[C@@]1(OC(C)=O)[H])C(C)(C)C
SPLASH splash10-0a4i-0910000000-95e922bdac49ef7b228e
Sample Comments dr = 65:35
Source of Spectrum A1-23-SM10-5bb
Wiley ID 1867983