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2,5-Cyclohexadiene-1,4-dione, 2-methoxy-3-(phenylethynyl)-5-(phenylmethyl)-
SpectraBase Compound ID 1Dme6ULVwuk
InChI InChI=1S/C22H16O3/c1-25-22-19(13-12-16-8-4-2-5-9-16)21(24)18(15-20(22)23)14-17-10-6-3-7-11-17/h2-11,15H,14H2,1H3
InChIKey PIBSIMNQOITENH-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 BH7QxDeFLnN
Name 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-3-(phenylethynyl)-5-(phenylmethyl)-
CAS Registry Number 118042-01-6
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)21(24)18(15-20(22)23)14-17-10-6-3-7-11-17/h2-11,15H,14H2,1H3
InChIKey PIBSIMNQOITENH-UHFFFAOYSA-N
Molecular Weight 328.367 g/mol
SMILES C=1(C#Cc2ccccc2)C(C(Cc2ccccc2)=CC(C1OC)=O)=O
SPLASH splash10-00or-0339000000-135c597769c946731f58
Source of Spectrum C-111-985-13
Synonyms 2-Methoxy-3-(phenylethyl)-5-(phenylmethyl)-2,5-cyclohexadiene-1,4-dione 2-Methoxy-3-(phenylethynyl)-5-(phenylmethyl)-2,5-cyclohexadiene-1,4-dione 5-Benzyl-2-methoxy-3-(phenylethynyl)benzo-1,4-quinone
Wiley ID 1326726