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[(1S)-2-(4-acetylphenyl)cyclohex-2-en-1-yl] butanoate
SpectraBase Compound ID Hs3u6jrWRE1
InChI InChI=1S/C18H22O3/c1-3-6-18(20)21-17-8-5-4-7-16(17)15-11-9-14(10-12-15)13(2)19/h7,9-12,17H,3-6,8H2,1-2H3/t17-/m0/s1
InChIKey MWZIUOOOGQTHNV-KRWDZBQOSA-N
Mol Weight 286.37 g/mol
Molecular Formula C18H22O3
Exact Mass 286.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5Meok1FS3p
Name [(1S)-2-(4-acetylphenyl)cyclohex-2-en-1-yl] butanoate
Appearance Yellow viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O3
InChI InChI=1S/C18H22O3/c1-3-6-18(20)21-17-8-5-4-7-16(17)15-11-9-14(10-12-15)13(2)19/h7,9-12,17H,3-6,8H2,1-2H3/t17-/m0/s1
InChIKey MWZIUOOOGQTHNV-KRWDZBQOSA-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(=O)C
SPLASH splash10-0002-0900000000-c0f48cbdd70e79a39f8e
Source of Spectrum A1-23-SM10-5na
Wiley ID 1867993