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3-Ethoxy-2-phenyl-5-(phenylmethyl)-2,5-cyclohexadiene-1,4-dione
SpectraBase Compound ID EvMC7NRVSZK
InChI InChI=1S/C21H18O3/c1-2-24-21-19(16-11-7-4-8-12-16)18(22)14-17(20(21)23)13-15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
InChIKey CIAANYXGUYQQMA-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 AZlNy1iOww8
Name 3-Ethoxy-2-phenyl-5-(phenylmethyl)-2,5-cyclohexadiene-1,4-dione
Alternate Name(s) 5-Benzyl-3-ethoxy-2-phenylbenzo-1,4-quinone
CAS Registry Number 119908-06-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O3
InChI InChI=1S/C21H18O3/c1-2-24-21-19(16-11-7-4-8-12-16)18(22)14-17(20(21)23)13-15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3
InChIKey CIAANYXGUYQQMA-UHFFFAOYSA-N
Molecular Weight 318.372 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)Cc1ccccc1)c1ccccc1)OCC
SPLASH splash10-00n0-9610000000-d0eb6b1edef504214beb
Source of Spectrum C-112-1902-11
Wiley ID 1318890