| SpectraBase Spectrum ID |
87N4qGQeNUU |
| Name |
Ethyl 3-(5,5-dimethyl-3-oxocyclohexenyl)propanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-4-16-12(15)6-5-10-7-11(14)9-13(2,3)8-10/h7H,4-6,8-9H2,1-3H3 |
| InChIKey |
TZPCPTKGCMWOSM-UHFFFAOYSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
C1(=CC(=O)CC(C1)(C)C)CCC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990732 |
