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3-n-butyl-2-hydroxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID 64WnkNLS9iQ
InChI InChI=1S/C17H18O3/c1-2-3-9-14-16(19)13(11-15(18)17(14)20)10-12-7-5-4-6-8-12/h4-8,11,20H,2-3,9-10H2,1H3
InChIKey JUZCLSSNBYRYIT-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tu16DlJnLu
Name 3-n-butyl-2-hydroxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione
CAS Registry Number 124175-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-2-3-9-14-16(19)13(11-15(18)17(14)20)10-12-7-5-4-6-8-12/h4-8,11,20H,2-3,9-10H2,1H3
InChIKey JUZCLSSNBYRYIT-UHFFFAOYSA-N
Molecular Weight 270.328 g/mol
SMILES OC1=C(C(C(Cc2ccccc2)=CC1=O)=O)CCCC
SPLASH splash10-002f-5190000000-a06752340ac639d2da3e
Source of Spectrum J-55-1181-10
Synonyms 5-Benzyl-3-butyl-2-hydroxybenzo-1,4-quinone
Wiley ID 1274588