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(5Z)-5-Phenyl-1-(3,4,5-trimethoxyphenyl)hept-5-en-1-one
SpectraBase Compound ID FwShBhSWKZ6
InChI InChI=1S/C22H26O4/c1-5-16(17-10-7-6-8-11-17)12-9-13-19(23)18-14-20(24-2)22(26-4)21(15-18)25-3/h5-8,10-11,14-15H,9,12-13H2,1-4H3/b16-5-
InChIKey GYVLDUJEOLBRTE-BNCCVWRVSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 837J72v1CuT
Name (5Z)-5-Phenyl-1-(3,4,5-trimethoxyphenyl)hept-5-en-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-5-16(17-10-7-6-8-11-17)12-9-13-19(23)18-14-20(24-2)22(26-4)21(15-18)25-3/h5-8,10-11,14-15H,9,12-13H2,1-4H3/b16-5-
InChIKey GYVLDUJEOLBRTE-BNCCVWRVSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202116625
Molecular Weight 354.446 g/mol
Reported Formula C22H26O4
SMILES C1(C(CCC\C(C2=CC=CC=C2)=C\C)=O)=CC(=C(C(=C1)OC)OC)OC
SPLASH splash10-03dj-0490000000-eb9d0863e1e3e8a25ab7
Sample Comments Z/E = 99:1
Source of Spectrum ACI-61-SM20-3g (DOI: 10.1002/anie.202116625)
Wiley ID 1897515