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[(1S)-2-phenylcyclohex-2-en-1-yl] 3-phenylpropanoate
SpectraBase Compound ID BbadusjAml9
InChI InChI=1S/C21H22O2/c22-21(16-15-17-9-3-1-4-10-17)23-20-14-8-7-13-19(20)18-11-5-2-6-12-18/h1-6,9-13,20H,7-8,14-16H2/t20-/m0/s1
InChIKey OOPMPCJWEDVDCT-FQEVSTJZSA-N
Mol Weight 306.41 g/mol
Molecular Formula C21H22O2
Exact Mass 306.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ik52qpMsux6
Name [(1S)-2-phenylcyclohex-2-en-1-yl] 3-phenylpropanoate
Appearance Viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O2
InChI InChI=1S/C21H22O2/c22-21(16-15-17-9-3-1-4-10-17)23-20-14-8-7-13-19(20)18-11-5-2-6-12-18/h1-6,9-13,20H,7-8,14-16H2/t20-/m0/s1
InChIKey OOPMPCJWEDVDCT-FQEVSTJZSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
Molecular Weight 306.405 g/mol
SMILES c1ccc(cc1)C=1[C@](CCCC1)(OC(CCc1ccccc1)=O)[H]
SPLASH splash10-0a4l-3900000000-bdb36a6ad82f37c739fb
Source of Spectrum A1-23-SM12-5af
Wiley ID 1867974