| SpectraBase Compound ID | 5UY8Ve1KUfV |
|---|---|
| InChI | InChI=1S/C14H15N/c1-12-6-5-7-13(10-12)11-15-14-8-3-2-4-9-14/h2-10,15H,11H2,1H3 |
| InChIKey | CIQYBFIYMVQIBG-UHFFFAOYSA-N |
| Mol Weight | 197.28 g/mol |
| Molecular Formula | C14H15N |
| Exact Mass | 197.120449 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AbBFWeXwi8A |
|---|---|
| Name | N-(3-Methylbenzyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.120449487 u |
| Formula | C14H15N |
| InChI | InChI=1S/C14H15N/c1-12-6-5-7-13(10-12)11-15-14-8-3-2-4-9-14/h2-10,15H,11H2,1H3 |
| InChIKey | CIQYBFIYMVQIBG-UHFFFAOYSA-N |
| Molecular Weight | 197.281 g/mol |
| SMILES | C=1(NCC=2C=C(C=CC2)C)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974266 |