| SpectraBase Compound ID | E5IDl8DuJKA |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3 |
| InChIKey | QZHFGVZUVOQATR-UHFFFAOYSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1IcdwEDdCLS |
|---|---|
| Name | 3-(1-Cyclohexenyl)propanoic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3 |
| InChIKey | QZHFGVZUVOQATR-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C(=O)(CCC1=CCCCC1)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947648 |