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(E)-2-(3-Acetoxy-2-cyclohexenyl)-1-phenylethan-1-one
SpectraBase Compound ID 9AZ5yOc7kYh
InChI InChI=1S/C16H18O3/c1-12(17)19-15-9-5-6-13(10-15)11-16(18)14-7-3-2-4-8-14/h2-4,7-8,10,13H,5-6,9,11H2,1H3
InChIKey HPHOCSAUOLRKJW-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ng2qFtaQd3
Name (E)-2-(3-Acetoxy-2-cyclohexenyl)-1-phenylethan-1-one
Alternate Name(s) 3-(2-oxo-2-phenylethyl)cyclohex-1-en-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-12(17)19-15-9-5-6-13(10-15)11-16(18)14-7-3-2-4-8-14/h2-4,7-8,10,13H,5-6,9,11H2,1H3
InChIKey HPHOCSAUOLRKJW-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol302888k
Molecular Weight 258.317 g/mol
SMILES C1C(=CC(CC(c2ccccc2)=O)CC1)OC(C)=O
SPLASH splash10-052b-9720000000-1aba8e600c2cb693b182
Source of Spectrum A1-14-5788/SMS16-3fb
Wiley ID 1750752