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2,5-Cyclohexadiene-1,4-dione, 2-ethoxy-3-phenyl-5-(phenylmethyl)-
SpectraBase Compound ID 2SOHv1Uot08
InChI InChI=1S/C21H18O3/c1-2-24-21-18(22)14-17(13-15-9-5-3-6-10-15)20(23)19(21)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3
InChIKey VKKIIQUTUFXVJR-UHFFFAOYSA-N
Mol Weight 318.37 g/mol
Molecular Formula C21H18O3
Exact Mass 318.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJXpuUGZawa
Name 2,5-Cyclohexadiene-1,4-dione, 2-ethoxy-3-phenyl-5-(phenylmethyl)-
Alternate Name(s) 2-Ethoxy-3-phenyl-5-(phenylmethyl)-2,5-cyclohexadiene-1,4-dione 5-Benzyl-2-ethoxy-3-phenylbenzo-1,4-quinone
CAS Registry Number 118041-97-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O3
InChI InChI=1S/C21H18O3/c1-2-24-21-18(22)14-17(13-15-9-5-3-6-10-15)20(23)19(21)16-11-7-4-8-12-16/h3-12,14H,2,13H2,1H3
InChIKey VKKIIQUTUFXVJR-UHFFFAOYSA-N
Molecular Weight 318.372 g/mol
SMILES C=1(C(C(Cc2ccccc2)=CC(C1OCC)=O)=O)c1ccccc1
SPLASH splash10-0gi3-2149000000-bdc55a31cdcb5e294343
Source of Spectrum C-111-985-13
Wiley ID 1318880