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3-Methoxy-2-(phenylethynyl)-5-(phenylmethyl)-2,5-cyclohexadiene-1,4-dione
SpectraBase Compound ID 75q5ESIgalU
InChI InChI=1S/C22H16O3/c1-25-22-19(13-12-16-8-4-2-5-9-16)20(23)15-18(21(22)24)14-17-10-6-3-7-11-17/h2-11,15H,14H2,1H3
InChIKey QKCFXQQGJKFDDY-UHFFFAOYSA-N
Mol Weight 328.37 g/mol
Molecular Formula C22H16O3
Exact Mass 328.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CPACM6oqWQ
Name 3-Methoxy-2-(phenylethynyl)-5-(phenylmethyl)-2,5-cyclohexadiene-1,4-dione
CAS Registry Number 124603-16-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16O3
InChI InChI=1S/C22H16O3/c1-25-22-19(13-12-16-8-4-2-5-9-16)20(23)15-18(21(22)24)14-17-10-6-3-7-11-17/h2-11,15H,14H2,1H3
InChIKey QKCFXQQGJKFDDY-UHFFFAOYSA-N
Molecular Weight 328.367 g/mol
SMILES C1(=C(C(=O)C(=CC1=O)Cc1ccccc1)OC)C#Cc1ccccc1
SPLASH splash10-016u-2921000000-8a25a0392a17282a43b5
Source of Spectrum C-112-1903-11
Synonyms 5-Benzyl-3-methoxy-2-(phenylethynyl)benzo-1,4-quinone
Wiley ID 1326728