| SpectraBase Spectrum ID |
LXReIV7ArjA |
| Name |
1-(3,4-Dichloro-alpha-isobutylbenzyl)pyrrolidine, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.081782812 u |
| Formula |
C15H22Cl3N |
| InChI |
InChI=1S/C15H21Cl2N.ClH/c1-11(2)9-15(18-7-3-4-8-18)12-5-6-13(16)14(17)10-12;/h5-6,10-11,15H,3-4,7-9H2,1-2H3;1H |
| InChIKey |
BNOSHEGNNLLFAC-UHFFFAOYSA-N |
| Molecular Weight |
322.707 g/mol |
| SMILES |
Cl.CC(CC(N1CCCC1)C=1C=C(C(=CC1)Cl)Cl)C |
| Spectrum/Structure Validation Score (Raman) |
0.904902 |
