| SpectraBase Compound ID | 7hVowqKxeNa |
|---|---|
| InChI | InChI=1S/C13H12O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2 |
| InChIKey | JKFDELMIGLPLAX-UHFFFAOYSA-N |
| Mol Weight | 184.24 g/mol |
| Molecular Formula | C13H12O |
| Exact Mass | 184.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CK6JVeS2GTI |
|---|---|
| Name | 3-Benzylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.088815005 u |
| Formula | C13H12O |
| InChI | InChI=1S/C13H12O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2 |
| InChIKey | JKFDELMIGLPLAX-UHFFFAOYSA-N |
| Molecular Weight | 184.238 g/mol |
| SMILES | C=1(O)C=C(CC=2C=CC=CC2)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943313 |