| SpectraBase Compound ID | 76rraIfTIlF |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-9(2)6-7-13-11-5-3-4-10(12)8-11/h3-6,8,12H,7H2,1-2H3 |
| InChIKey | JOFFWZSNPVXXLO-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
| SpectraBase Spectrum ID | 5zkVvYM1Ty9 |
|---|---|
| Name | Phenol, 3-[(3-methyl-2-butenyl)oxy]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-9(2)6-7-13-11-5-3-4-10(12)8-11/h3-6,8,12H,7H2,1-2H3 |
| InChIKey | JOFFWZSNPVXXLO-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | OC=1C=C(C=CC1)OCC=C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.910812 |