| SpectraBase Compound ID | 6Qfld37L5oo |
|---|---|
| InChI | InChI=1S/C12H19N.ClH/c1-2-3-5-10-12(13)11-8-6-4-7-9-11;/h4,6-9,12H,2-3,5,10,13H2,1H3;1H |
| InChIKey | ARNMMAZBPLSECJ-UHFFFAOYSA-N |
| Mol Weight | 213.75 g/mol |
| Molecular Formula | C12H20ClN |
| Exact Mass | 213.128427 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2wHucECIXlg |
|---|---|
| Name | alpha-Pentylbenzylamine, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.128427348 u |
| Formula | C12H20ClN |
| InChI | InChI=1S/C12H19N.ClH/c1-2-3-5-10-12(13)11-8-6-4-7-9-11;/h4,6-9,12H,2-3,5,10,13H2,1H3;1H |
| InChIKey | ARNMMAZBPLSECJ-UHFFFAOYSA-N |
| Molecular Weight | 213.752 g/mol |
| SMILES | Cl.NC(C=1C=CC=CC1)CCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.990332 |