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Methyl (2RS)-2-[(1SR)-2-oxocyclohexyl]-3-{2-[(E)-2-phenylvinyl]phenyl}propanoate
SpectraBase Compound ID F0iZL7o7ert
InChI InChI=1S/C24H26O3/c1-27-24(26)22(21-13-7-8-14-23(21)25)17-20-12-6-5-11-19(20)16-15-18-9-3-2-4-10-18/h2-6,9-12,15-16,21-22H,7-8,13-14,17H2,1H3/b16-15+/t21-,22+/m0/s1
InChIKey PFVIRQRRZCHMSP-BJPOSOMNSA-N
Mol Weight 362.47 g/mol
Molecular Formula C24H26O3
Exact Mass 362.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dJDHIicd0K
Name Methyl (2RS)-2-[(1SR)-2-oxocyclohexyl]-3-{2-[(E)-2-phenylvinyl]phenyl}propanoate
Appearance Colourless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26O3
InChI InChI=1S/C24H26O3/c1-27-24(26)22(21-13-7-8-14-23(21)25)17-20-12-6-5-11-19(20)16-15-18-9-3-2-4-10-18/h2-6,9-12,15-16,21-22H,7-8,13-14,17H2,1H3/b16-15+/t21-,22+/m0/s1
InChIKey PFVIRQRRZCHMSP-BJPOSOMNSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.6.141
Molecular Weight 362.469 g/mol
SMILES C1CCC([C@@](C1)([C@@](Cc1ccccc1\C=C\c1ccccc1)(C(=O)OC)[H])[H])=O
SPLASH splash10-0a4l-5693000000-8a6d55f0188c331172a4
Source of Spectrum BJO-6-SM19-38a
Wiley ID 1871712