| SpectraBase Compound ID | 9yrQUoFVBb6 |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m0/s1 |
| InChIKey | KJBPYIUAQLPHJG-VIFPVBQESA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LFJvqd6MCS9 |
|---|---|
| Name | (2S)-1-Benzoxypropan-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m0/s1 |
| InChIKey | KJBPYIUAQLPHJG-VIFPVBQESA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C([C@](C)(O)[H])OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917908 |