| SpectraBase Spectrum ID |
1XZ95RnvaSZ |
| Name |
2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-1-phenyl-, ethyl ester |
| CAS Registry Number |
116059-77-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O3 |
| InChI |
InChI=1S/C16H18O3/c1-3-19-15(18)16(13-7-5-4-6-8-13)10-9-14(17)11-12(16)2/h4-8,11H,3,9-10H2,1-2H3 |
| InChIKey |
LRAQMYURBGVWNR-UHFFFAOYSA-N |
| Molecular Weight |
258.317 g/mol |
| SMILES |
C=1(C(C(=O)OCC)(CCC(C1)=O)c1ccccc1)C |
| SPLASH |
splash10-052r-0960000000-145b8af5af4ae9e28803 |
| Source of Spectrum |
KC-1987-2693-9 |
| Synonyms |
Ethyl 2-methyl-1-phenyl-4-oxocyclohex-2-enecarboxylate
ethyl 2-methyl-4-oxo-1-phenyl-2-cyclohexene-1-carboxylate |
| Wiley ID |
1262052 |
