| SpectraBase Compound ID | GO5qS0ka4hh |
|---|---|
| InChI | InChI=1S/C11H17N.ClH/c1-3-4-11(12)10-7-5-9(2)6-8-10;/h5-8,11H,3-4,12H2,1-2H3;1H |
| InChIKey | KBCFOUIIWWXJEI-UHFFFAOYSA-N |
| Mol Weight | 199.72 g/mol |
| Molecular Formula | C11H18ClN |
| Exact Mass | 199.112777 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5tX916GQPgl |
|---|---|
| Name | p-Methyl-alpha-propylbenzylamine, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.112777284 u |
| Formula | C11H18ClN |
| InChI | InChI=1S/C11H17N.ClH/c1-3-4-11(12)10-7-5-9(2)6-8-10;/h5-8,11H,3-4,12H2,1-2H3;1H |
| InChIKey | KBCFOUIIWWXJEI-UHFFFAOYSA-N |
| SMILES | NC(C1=CC=C(C=C1)C)CCC.Cl |
| Spectrum/Structure Validation Score (Raman) | 0.973538 |