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2,5-Cyclohexadiene-1,4-dione, 3-butyl-2-ethoxy-5-(phenylmethyl)-
SpectraBase Compound ID 44yA76LVF9H
InChI InChI=1S/C19H22O3/c1-3-5-11-16-18(21)15(12-14-9-7-6-8-10-14)13-17(20)19(16)22-4-2/h6-10,13H,3-5,11-12H2,1-2H3
InChIKey HVBNMABGLPVQAT-UHFFFAOYSA-N
Mol Weight 298.38 g/mol
Molecular Formula C19H22O3
Exact Mass 298.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mNF3SDYl0g
Name 2,5-Cyclohexadiene-1,4-dione, 3-butyl-2-ethoxy-5-(phenylmethyl)-
Alternate Name(s) 3-Butyl-2-ethoxy-5-(phenylmethyl)-2,5-cyclohexadiene-1,4-dione 5-Benzyl-3-butyl-2-ethoxybenzo-1,4-quinone
CAS Registry Number 118041-98-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O3
InChI InChI=1S/C19H22O3/c1-3-5-11-16-18(21)15(12-14-9-7-6-8-10-14)13-17(20)19(16)22-4-2/h6-10,13H,3-5,11-12H2,1-2H3
InChIKey HVBNMABGLPVQAT-UHFFFAOYSA-N
Molecular Weight 298.382 g/mol
SMILES C=1(C(C(Cc2ccccc2)=CC(C1OCC)=O)=O)CCCC
SPLASH splash10-0002-1190000000-b8b4e22812ea76c61fbd
Source of Spectrum C-111-985-13
Wiley ID 1301267