| SpectraBase Compound ID | HTwwEQ44Krc |
|---|---|
| InChI | InChI=1S/C8H14O/c9-7-6-8-4-2-1-3-5-8/h1-2,8-9H,3-7H2 |
| InChIKey | FELLSOCIMJMONP-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
| SpectraBase Spectrum ID | ISlTqNGnp1j |
|---|---|
| Name | 3-Cyclohexene-1-ethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c9-7-6-8-4-2-1-3-5-8/h1-2,8-9H,3-7H2 |
| InChIKey | FELLSOCIMJMONP-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | OCCC1CC=CCC1 |
| Spectrum/Structure Validation Score (Raman) | 0.976953 |