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(E)-methyl 1-acetyl-2-benzylidene-5-phenylcyclopentanecarboxylate
SpectraBase Compound ID 6i9njJpzbNI
InChI InChI=1S/C22H22O3/c1-16(23)22(21(24)25-2)19(15-17-9-5-3-6-10-17)13-14-20(22)18-11-7-4-8-12-18/h3-12,15,20H,13-14H2,1-2H3/b19-15+
InChIKey CVBASDNGSHUQQO-XDJHFCHBSA-N
Mol Weight 334.42 g/mol
Molecular Formula C22H22O3
Exact Mass 334.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DT7XIgbys1p
Name (E)-methyl 1-acetyl-2-benzylidene-5-phenylcyclopentanecarboxylate
Alternate Name(s) Methyl (E)-1-acetyl-2-benzylidene-5-phenylcyclopentane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O3
InChI InChI=1S/C22H22O3/c1-16(23)22(21(24)25-2)19(15-17-9-5-3-6-10-17)13-14-20(22)18-11-7-4-8-12-18/h3-12,15,20H,13-14H2,1-2H3/b19-15+
InChIKey CVBASDNGSHUQQO-XDJHFCHBSA-N
Literature Reference DOI 10.1002/adsc.201600175
Molecular Weight 334.415 g/mol
SMILES C1(\C(CCC1c1ccccc1)=C\c1ccccc1)(C(=O)OC)C(=O)C
SPLASH splash10-0006-9650000000-0d8e22a4fe33628bb63d
Source of Spectrum ASC-358-1820/SM15-38a
Wiley ID 1807416