| SpectraBase Compound ID | HzdW8jbaUkK |
|---|---|
| InChI | InChI=1S/C14H23N.ClH/c1-3-4-5-6-7-14(15)13-10-8-12(2)9-11-13;/h8-11,14H,3-7,15H2,1-2H3;1H |
| InChIKey | ARBHTENQSJDVHR-UHFFFAOYSA-N |
| Mol Weight | 241.81 g/mol |
| Molecular Formula | C14H24ClN |
| Exact Mass | 241.159727 g/mol |
| SpectraBase Spectrum ID | 6hjpdxVeBYQ |
|---|---|
| Name | 1-p-Tolylheptylamine, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.159727477 u |
| Formula | C14H24ClN |
| InChI | InChI=1S/C14H23N.ClH/c1-3-4-5-6-7-14(15)13-10-8-12(2)9-11-13;/h8-11,14H,3-7,15H2,1-2H3;1H |
| InChIKey | ARBHTENQSJDVHR-UHFFFAOYSA-N |
| Molecular Weight | 241.806 g/mol |
| SMILES | Cl.NC(C1=CC=C(C=C1)C)CCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.986515 |