| SpectraBase Compound ID | 64gXHzNhdkq |
|---|---|
| InChI | InChI=1S/C5H13N.ClH/c1-5(2)3-4-6;/h5H,3-4,6H2,1-2H3;1H |
| InChIKey | HOMVDRDAAUYWKL-UHFFFAOYSA-N |
| Mol Weight | 123.63 g/mol |
| Molecular Formula | C5H14ClN |
| Exact Mass | 123.081477 g/mol |
| SpectraBase Spectrum ID | 1CHFVXwziHJ |
|---|---|
| Name | Isopentylamine, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 123.081477155 u |
| Formula | C5H14ClN |
| InChI | InChI=1S/C5H13N.ClH/c1-5(2)3-4-6;/h5H,3-4,6H2,1-2H3;1H |
| InChIKey | HOMVDRDAAUYWKL-UHFFFAOYSA-N |
| Molecular Weight | 123.627 g/mol |
| SMILES | NCCC(C)C.Cl |
| Spectrum/Structure Validation Score (Raman) | 0.987786 |