| SpectraBase Spectrum ID |
AoKQQuvvR6o |
| Name |
2-(3-Keto-5,5-dimethyl-cyclohexen-1-yl)acetic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.125594437 u |
| Formula |
C12H18O3 |
| InChI |
InChI=1S/C12H18O3/c1-4-15-11(14)6-9-5-10(13)8-12(2,3)7-9/h5H,4,6-8H2,1-3H3 |
| InChIKey |
PQXJAVJYLMCWTN-UHFFFAOYSA-N |
| Molecular Weight |
210.273 g/mol |
| SMILES |
C1(=CC(=O)CC(C1)(C)C)CC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952197 |
