| SpectraBase Compound ID | 29euyQe5VdA |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-9(2)11-5-4-10(3)12(8-11)14-7-6-13/h4-5,8-9,13H,6-7H2,1-3H3 |
| InChIKey | TVJCOFBILYMDSX-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
| SpectraBase Spectrum ID | 5gXC2cgm0yB |
|---|---|
| Name | 2-(Carvacryloxy)ethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-9(2)11-5-4-10(3)12(8-11)14-7-6-13/h4-5,8-9,13H,6-7H2,1-3H3 |
| InChIKey | TVJCOFBILYMDSX-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | OCCOC1=C(C=CC(=C1)C(C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.994936 |