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2,5-Cyclohexadiene-1,4-dione, 2-ethoxy-3-(1-naphthalenyl)-5-(phenylmethyl)-
SpectraBase Compound ID DapWxEYaNzd
InChI InChI=1S/C25H20O3/c1-2-28-25-22(26)16-19(15-17-9-4-3-5-10-17)24(27)23(25)21-14-8-12-18-11-6-7-13-20(18)21/h3-14,16H,2,15H2,1H3
InChIKey HKSCNFCGVFTRMK-UHFFFAOYSA-N
Mol Weight 368.43 g/mol
Molecular Formula C25H20O3
Exact Mass 368.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Yfufc3ISQv
Name 2,5-Cyclohexadiene-1,4-dione, 2-ethoxy-3-(1-naphthalenyl)-5-(phenylmethyl)-
Alternate Name(s) 2-Ethoxy-3-(1-naphthyl)-5-(phenylmethyl)-2,5-cyclohexiene-1,4-dione 5-Benzyl-2-ethoxy-3-(1-naphthyl)benzo-1,4-quinone
CAS Registry Number 118041-99-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20O3
InChI InChI=1S/C25H20O3/c1-2-28-25-22(26)16-19(15-17-9-4-3-5-10-17)24(27)23(25)21-14-8-12-18-11-6-7-13-20(18)21/h3-14,16H,2,15H2,1H3
InChIKey HKSCNFCGVFTRMK-UHFFFAOYSA-N
Molecular Weight 368.432 g/mol
SMILES C=1(C(C(Cc2ccccc2)=CC(C1OCC)=O)=O)c1c2c(cccc2)ccc1
SPLASH splash10-014r-7906000000-c8a7a2e494f6b67976d5
Source of Spectrum C-111-985-13
Wiley ID 1353398