| SpectraBase Compound ID | 3cVAEiqiY9 |
|---|---|
| InChI | InChI=1S/C12H11NO/c14-12-6-4-10(5-7-12)9-11-3-1-2-8-13-11/h1-8,14H,9H2 |
| InChIKey | FYKBHPFNYWJDFQ-UHFFFAOYSA-N |
| Mol Weight | 185.23 g/mol |
| Molecular Formula | C12H11NO |
| Exact Mass | 185.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4hkw4FJTW47 |
|---|---|
| Name | Phenol, 4-(2-pyridinylmethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.084063977 u |
| Formula | C12H11NO |
| InChI | InChI=1S/C12H11NO/c14-12-6-4-10(5-7-12)9-11-3-1-2-8-13-11/h1-8,14H,9H2 |
| InChIKey | FYKBHPFNYWJDFQ-UHFFFAOYSA-N |
| Molecular Weight | 185.226 g/mol |
| SMILES | C1=CC=NC(=C1)CC1=CC=C(O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932094 |