| SpectraBase Spectrum ID |
3MFOlP9JaA8 |
| Name |
2-(2-Carboxyethyl)-6,6-dimethyl-3-oxo-1-cyclohexene-1-carboxylic acid |
| CAS Registry Number |
57304-91-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O5 |
| InChI |
InChI=1S/C12H16O5/c1-12(2)6-5-8(13)7(3-4-9(14)15)10(12)11(16)17/h3-6H2,1-2H3,(H,14,15)(H,16,17) |
| InChIKey |
ADOATYFCQOECBF-UHFFFAOYSA-N |
| Molecular Weight |
240.255 g/mol |
| SMILES |
OC(CCC1=C(C(=O)O)C(CCC1=O)(C)C)=O |
| SPLASH |
splash10-002f-9510000000-77315a931b3a22cc9a7d |
| Source of Spectrum |
F-47-1413-4 |
| Synonyms |
2-(2-carboxyethyl)-3-keto-6,6-dimethyl-cyclohexene-1-carboxylic acid
2-(2-carboxyethyl)-6,6-dimethyl-3-oxo-1-cyclohexenecarboxylic acid
2-(2-carboxyethyl)-6,6-dimethyl-3-oxo-cyclohexene-1-carboxylic acid
2-(2-carboxyethyl)-6,6-dimethyl-3-oxocyclohexene-1-carboxylic acid |
| Wiley ID |
1242663 |
