| SpectraBase Compound ID | 4Ol1p2bPqj2 |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-8-2-4-9(5-3-8)10(6-11)7-12/h2-5,10-12H,6-7H2,1H3 |
| InChIKey | VFUWTUIVNISCGA-UHFFFAOYSA-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 | FIs1acUGbNB |
|---|---|
| Name | 2-(4-Methylphenyl)-1,3-propanediol |
| 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/c1-8-2-4-9(5-3-8)10(6-11)7-12/h2-5,10-12H,6-7H2,1H3 |
| InChIKey | VFUWTUIVNISCGA-UHFFFAOYSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C=1(C(CO)CO)C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918424 |