| SpectraBase Compound ID | C45VAAzH6F |
|---|---|
| InChI | InChI=1S/C14H14O/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(14)10-15/h2-9,15H,10H2,1H3 |
| InChIKey | AOMHBKWJLSGNIZ-UHFFFAOYSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C14H14O |
| Exact Mass | 198.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1msE7jAJD8j |
|---|---|
| Name | Benzenemethanol, 2-(2-methylphenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.104465070 u |
| Formula | C14H14O |
| InChI | InChI=1S/C14H14O/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(14)10-15/h2-9,15H,10H2,1H3 |
| InChIKey | AOMHBKWJLSGNIZ-UHFFFAOYSA-N |
| Molecular Weight | 198.265 g/mol |
| SMILES | C=1(C=2C(CO)=CC=CC2)C(C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916787 |