| SpectraBase Compound ID | 29Q2kxkqlgn |
|---|---|
| InChI | InChI=1S/C14H15NO/c1-16-14-9-5-6-12(10-14)11-15-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3 |
| InChIKey | WGJLFGPPEXLLNQ-UHFFFAOYSA-N |
| Mol Weight | 213.28 g/mol |
| Molecular Formula | C14H15NO |
| Exact Mass | 213.115364 g/mol |
| SpectraBase Spectrum ID | rnrVSTQN8l |
|---|---|
| Name | N-(3-Methoxybenzyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.115364106 u |
| Formula | C14H15NO |
| InChI | InChI=1S/C14H15NO/c1-16-14-9-5-6-12(10-14)11-15-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3 |
| InChIKey | WGJLFGPPEXLLNQ-UHFFFAOYSA-N |
| Molecular Weight | 213.280 g/mol |
| SMILES | C1(NCC=2C=C(C=CC2)OC)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.829239 |