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3-[cyclopropyl(phenyl)methyl]-2-hydroxy-5-methoxy-1,4-benzoquinone
SpectraBase Compound ID J6jBbjqeSEY
InChI InChI=1S/C17H16O4/c1-21-13-9-12(18)16(19)15(17(13)20)14(11-7-8-11)10-5-3-2-4-6-10/h2-6,9,11,14,19H,7-8H2,1H3
InChIKey RCQFWNKAYKMFSR-UHFFFAOYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aWsgg8JGui
Name 3-[cyclopropyl(phenyl)methyl]-2-hydroxy-5-methoxy-1,4-benzoquinone
CAS Registry Number 115685-97-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O4
InChI InChI=1S/C17H16O4/c1-21-13-9-12(18)16(19)15(17(13)20)14(11-7-8-11)10-5-3-2-4-6-10/h2-6,9,11,14,19H,7-8H2,1H3
InChIKey RCQFWNKAYKMFSR-UHFFFAOYSA-N
Molecular Weight 284.311 g/mol
SMILES OC1=C(C(C(=CC1=O)OC)=O)C(C1CC1)c1ccccc1
SPLASH splash10-0006-9880000000-08f35648e93188a132e7
Source of Spectrum F-43-4175-1
Synonyms 3-[cyclopropyl(phenyl)methyl]-2-hydroxy-5-methoxy-p-benzoquinone 3-[cyclopropyl(phenyl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione 3-[cyclopropyl(phenyl)methyl]-5-methoxy-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione
Wiley ID 1288058