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3-Butyl-2-methoxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID B4xLC65uDX4
InChI InChI=1S/C18H20O3/c1-3-4-10-15-17(20)14(12-16(19)18(15)21-2)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3
InChIKey PECOJAYLXGVXJN-UHFFFAOYSA-N
Mol Weight 284.36 g/mol
Molecular Formula C18H20O3
Exact Mass 284.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KufBfHfVNzP
Name 3-Butyl-2-methoxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione
CAS Registry Number 118042-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-3-4-10-15-17(20)14(12-16(19)18(15)21-2)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3
InChIKey PECOJAYLXGVXJN-UHFFFAOYSA-N
Molecular Weight 284.355 g/mol
SMILES C=1(C(C(Cc2ccccc2)=CC(C1OC)=O)=O)CCCC
SPLASH splash10-000x-3290000000-a9ab9bb6fd51c6de8e81
Source of Spectrum C-111-985-13
Synonyms 5-Benzyl-3-butyl-2-methoxy-1,4-benzoquinone 5-Benzyl-3-butyl-2-methoxy-p-benzoquinone 5-Benzyl-3-butyl-2-methoxybenzo-1,4-quinone 5-Benzyl-3-butyl-2-methoxycyclohexa-2,5-diene-1,4-dione
Wiley ID 1288250