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4-Cyclopentene-1,3-dione, 4-(7-methoxyheptyl)-5-(2-phenylethyl)-
SpectraBase Compound ID GBEN9bjC5oV
InChI InChI=1S/C21H28O3/c1-24-15-9-4-2-3-8-12-18-19(21(23)16-20(18)22)14-13-17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-16H2,1H3
InChIKey BIKHZOUBELCLFH-UHFFFAOYSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrHu7xUhwHW
Name 4-Cyclopentene-1,3-dione, 4-(7-methoxyheptyl)-5-(2-phenylethyl)-
Alternate Name(s) 4-(7-Methoxyheptyl)-5-(2-phenylethyl)cyclopent-4-ene-1,3-dione
CAS Registry Number 62788-20-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-24-15-9-4-2-3-8-12-18-19(21(23)16-20(18)22)14-13-17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-16H2,1H3
InChIKey BIKHZOUBELCLFH-UHFFFAOYSA-N
Molecular Weight 328.452 g/mol
SMILES C1(=C(C(=O)CC1=O)CCCCCCCOC)CCc1ccccc1
SPLASH splash10-0006-9101000000-4246f97e0e23dd5d371d
Source of Spectrum F-32-2750-0
Wiley ID 1326666