| SpectraBase Compound ID | 1PUWUOJRDl5 |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-2-10(12)8-7-9-5-3-4-6-11(9)13/h3-6,10,12-13H,2,7-8H2,1H3 |
| InChIKey | YVOMRDBSZZTANO-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LLNbgVpzFRq |
|---|---|
| Name | Benzenepropanol, .alpha.-ethyl-2-hydroxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-2-10(12)8-7-9-5-3-4-6-11(9)13/h3-6,10,12-13H,2,7-8H2,1H3 |
| InChIKey | YVOMRDBSZZTANO-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | CCC(O)CCC1=CC=CC=C1O |