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3-Methoxy-5-phenyl-2-(phenylethynyl)-2,5-cyclohexadiene-1,4-dione
SpectraBase Compound ID 8UXMCyIMNrF
InChI InChI=1S/C21H14O3/c1-24-21-17(13-12-15-8-4-2-5-9-15)19(22)14-18(20(21)23)16-10-6-3-7-11-16/h2-11,14H,1H3
InChIKey JBYAIBBFIKZMSU-UHFFFAOYSA-N
Mol Weight 314.34 g/mol
Molecular Formula C21H14O3
Exact Mass 314.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59Ov5Bw3Drn
Name 3-Methoxy-5-phenyl-2-(phenylethynyl)-2,5-cyclohexadiene-1,4-dione
CAS Registry Number 124603-17-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14O3
InChI InChI=1S/C21H14O3/c1-24-21-17(13-12-15-8-4-2-5-9-15)19(22)14-18(20(21)23)16-10-6-3-7-11-16/h2-11,14H,1H3
InChIKey JBYAIBBFIKZMSU-UHFFFAOYSA-N
Molecular Weight 314.340 g/mol
SMILES C1(=C(C(=O)C(=CC1=O)c1ccccc1)OC)C#Cc1ccccc1
SPLASH splash10-0j4i-0942000000-328caa5824ccc0d9b639
Source of Spectrum C-112-1903-11
Synonyms 3-Methoxy-5-phenyl-2-(phenylethynyl)benzo-1,4-quinone
Wiley ID 1315469