| SpectraBase Spectrum ID |
3dMBbuKBMQq |
| Name |
2H-1-Benzopyran-4-carboxylic acid, 4a,5,8,8a-tetrahydro-6,7-dimethyl-2-oxo-, methyl ester |
| CAS Registry Number |
68161-00-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-7-4-9-10(13(15)16-3)6-12(14)17-11(9)5-8(7)2/h6,9,11H,4-5H2,1-3H3 |
| InChIKey |
ICTNFGZVGNLACI-UHFFFAOYSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
C=1(C2C(CC(=C(C2)C)C)OC(C1)=O)C(=O)OC |
| SPLASH |
splash10-0a6r-2900000000-2beaa0342499bb178236 |
| Source of Spectrum |
F-34-1899-0 |
| Synonyms |
6,7-Dimethyl-4a-methoxycarbonyl-4a,5,8,8a-tetrahydrocoumarin
Methyl 6,7-dimethyl-2-oxo-4a,5,8,8a-tetrahydro-2H-chromene-4-carboxylate |
| Wiley ID |
1238038 |
