| SpectraBase Compound ID | LyDpfGSogC7 |
|---|---|
| InChI | InChI=1S/C14H21NO/c1-3-4-5-9-14(16)15-11-13-8-6-7-12(2)10-13/h6-8,10H,3-5,9,11H2,1-2H3,(H,15,16) |
| InChIKey | JPYXLZPBLTYTHP-UHFFFAOYSA-N |
| Mol Weight | 219.33 g/mol |
| Molecular Formula | C14H21NO |
| Exact Mass | 219.162314 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 | Dj059gxIa8G |
|---|---|
| Name | 3-Methylbenzylamine hex |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.162314299 u |
| Formula | C14H21NO |
| InChI | InChI=1S/C14H21NO/c1-3-4-5-9-14(16)15-11-13-8-6-7-12(2)10-13/h6-8,10H,3-5,9,11H2,1-2H3,(H,15,16) |
| InChIKey | JPYXLZPBLTYTHP-UHFFFAOYSA-N |
| Molecular Weight | 219.328 g/mol |
| SMILES | C1(CNC(CCCCC)=O)=CC(=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962165 |