| SpectraBase Compound ID | EKjSHlqvCoQ |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-10(7-11,8-12)9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3 |
| InChIKey | BHEIMYVOVVBWRL-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 | EJoU5hJQ8QL |
|---|---|
| Name | 1,3-Propanediol, 2-methyl-2-phenyl- |
| 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/c1-10(7-11,8-12)9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3 |
| InChIKey | BHEIMYVOVVBWRL-UHFFFAOYSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C(C(CO)(C)C1=CC=CC=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923627 |