| SpectraBase Compound ID | G1b4cMvKEVE |
|---|---|
| InChI | InChI=1S/C12H14O/c1-12(2,13)11-8-10(11)9-6-4-3-5-7-9/h3-8,10,13H,1-2H3 |
| InChIKey | YPTVIRIUEINTJL-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2aHCi9NTqh7 |
|---|---|
| Name | 2-(3-Phenylcyclopropenyl)-propane-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c1-12(2,13)11-8-10(11)9-6-4-3-5-7-9/h3-8,10,13H,1-2H3 |
| InChIKey | YPTVIRIUEINTJL-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C1(=CC1C=1C=CC=CC1)C(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933002 |