| SpectraBase Spectrum ID |
B0Tc7jG86T2 |
| Name |
1,4-Cyclohexadiene-1-butanoic acid, 3,6-dioxo-, phenylmethyl ester |
| Alternate Name(s) |
Benzyl 4-(2',5'-benzoquinonyl)-butanoate
benzyl 4-(3,6-dioxo-1,4-cyclohexadien-1-yl)butanoate |
| CAS Registry Number |
83575-17-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16O4 |
| InChI |
InChI=1S/C17H16O4/c18-15-9-10-16(19)14(11-15)7-4-8-17(20)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2 |
| InChIKey |
DGTKLDJDYYJOEL-UHFFFAOYSA-N |
| Molecular Weight |
284.311 g/mol |
| SMILES |
C1(=CC(=O)C=CC1=O)CCCC(=O)OCc1ccccc1 |
| SPLASH |
splash10-0006-9500000000-9a0c06471f8123aec781 |
| Source of Spectrum |
F-38-1475-0 |
| Wiley ID |
1288047 |
