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3-Butyl-2-methoxy-5-(phenylethynyl)-2,5-cyclohexadiene-1,4-dione
SpectraBase Compound ID 1oJgm4Pk5v6
InChI InChI=1S/C19H18O3/c1-3-4-10-16-18(21)15(13-17(20)19(16)22-2)12-11-14-8-6-5-7-9-14/h5-9,13H,3-4,10H2,1-2H3
InChIKey DBHKVNYAYXVGLG-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdDSX2bMsg9
Name 3-Butyl-2-methoxy-5-(phenylethynyl)-2,5-cyclohexadiene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O3
InChI InChI=1S/C19H18O3/c1-3-4-10-16-18(21)15(13-17(20)19(16)22-2)12-11-14-8-6-5-7-9-14/h5-9,13H,3-4,10H2,1-2H3
InChIKey DBHKVNYAYXVGLG-UHFFFAOYSA-N
Molecular Weight 294.350 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)C#Cc1ccccc1)OC)CCCC
SPLASH splash10-0ukc-0390000000-7fc97e760a36e4ff3ba1
Source of Spectrum C-111-985-13
Synonyms 3-Butyl-2-methoxy-5-(phenylethynyl)benzo-1,4-quinone
Wiley ID 1297548