| SpectraBase Spectrum ID |
7Gfz0LDakpL |
| Name |
1-(p-Chloro-alpha-isobutylbenzyl)pyrrolidine, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.120755145 u |
| Formula |
C15H23Cl2N |
| InChI |
InChI=1S/C15H22ClN.ClH/c1-12(2)11-15(17-9-3-4-10-17)13-5-7-14(16)8-6-13;/h5-8,12,15H,3-4,9-11H2,1-2H3;1H |
| InChIKey |
BNDCLXCUNKEPPY-UHFFFAOYSA-N |
| Molecular Weight |
288.262 g/mol |
| SMILES |
CC(CC(C=1C=CC(=CC1)Cl)N1CCCC1)C.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.980011 |
