| SpectraBase Spectrum ID |
6exyuAH2cBv |
| Name |
3-(2-Methyl-5-(1-methylethyl)-3,6-dioxocyclohexa-1,4-dienyl)propanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-7(2)10-6-11(14)8(3)9(13(10)17)4-5-12(15)16/h6-7H,4-5H2,1-3H3,(H,15,16) |
| InChIKey |
SKRUJHMHMFHCHG-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/cbdv.200900328 |
| Molecular Weight |
236.267 g/mol |
| SMILES |
OC(CCC1=C(C(C=C(C1=O)C(C)C)=O)C)=O |
| SPLASH |
splash10-000k-9800000000-02154902e387cf9c5d4d |
| Source of Spectrum |
CBD-7-135-2a |
| Synonyms |
3-(5-isopropyl-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)propanoic acid |
| Wiley ID |
1788785 |
