| SpectraBase Spectrum ID |
BH7QxDeFLnN |
| Name |
2,5-Cyclohexadiene-1,4-dione, 2-methoxy-3-(phenylethynyl)-5-(phenylmethyl)- |
| Alternate Name(s) |
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 |
| 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 |
| Wiley ID |
1326726 |
