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[(1S)-2-(3,5-dimethylphenyl)cyclohex-2-en-1-yl] butanoate
SpectraBase Compound ID 3n8dO9939uL
InChI InChI=1S/C18H24O2/c1-4-7-18(19)20-17-9-6-5-8-16(17)15-11-13(2)10-14(3)12-15/h8,10-12,17H,4-7,9H2,1-3H3/t17-/m0/s1
InChIKey XUOVXWRXUIQDNE-KRWDZBQOSA-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 5S3Xu6thgqm
Name [(1S)-2-(3,5-dimethylphenyl)cyclohex-2-en-1-yl] butanoate
Appearance Viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-4-7-18(19)20-17-9-6-5-8-16(17)15-11-13(2)10-14(3)12-15/h8,10-12,17H,4-7,9H2,1-3H3/t17-/m0/s1
InChIKey XUOVXWRXUIQDNE-KRWDZBQOSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
SMILES c1c(cc(cc1C)C1=CCCC[C@@]1(OC(CCC)=O)[H])C
SPLASH splash10-00lr-0900000000-7d6773d0ce3d66ee91cb
Source of Spectrum A1-23-SM9-5ga
Wiley ID 1867988