| SpectraBase Compound ID | FEOrIP9ohuJ |
|---|---|
| InChI | InChI=1S/C13H21N.ClH/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12;/h5-7,9-10,13H,2-4,8,11,14H2,1H3;1H |
| InChIKey | WFNCHJFZZPOXAG-UHFFFAOYSA-N |
| Mol Weight | 227.78 g/mol |
| Molecular Formula | C13H22ClN |
| Exact Mass | 227.144077 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3ShpyUrLOXA |
|---|---|
| Name | 1-Phenylheptylamine, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.144077412 u |
| Formula | C13H22ClN |
| InChI | InChI=1S/C13H21N.ClH/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12;/h5-7,9-10,13H,2-4,8,11,14H2,1H3;1H |
| InChIKey | WFNCHJFZZPOXAG-UHFFFAOYSA-N |
| SMILES | NC(C1=CC=CC=C1)CCCCCC.Cl |
| Spectrum/Structure Validation Score (Raman) | 0.985008 |