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[(1S)-5,5-dimethyl-2-phenyl-cyclohex-2-en-1-yl] butanoate
SpectraBase Compound ID HXM7hKEo0ys
InChI InChI=1S/C18H24O2/c1-4-8-17(19)20-16-13-18(2,3)12-11-15(16)14-9-6-5-7-10-14/h5-7,9-11,16H,4,8,12-13H2,1-3H3/t16-/m0/s1
InChIKey NGUMWOZTOHVPRE-INIZCTEOSA-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 LPU33ZTcUuz
Name [(1S)-5,5-dimethyl-2-phenyl-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/c1-4-8-17(19)20-16-13-18(2,3)12-11-15(16)14-9-6-5-7-10-14/h5-7,9-11,16H,4,8,12-13H2,1-3H3/t16-/m0/s1
InChIKey NGUMWOZTOHVPRE-INIZCTEOSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
SMILES c1cccc(c1)C=1[C@](CC(CC1)(C)C)(OC(CCC)=O)[H]
SPLASH splash10-0f89-0900000000-2c3aafc06287e04f78fe
Source of Spectrum A1-23-SM8-5da
Wiley ID 1867985