| SpectraBase Spectrum ID |
2iC8saB6XGQ |
| Name |
2-[(4-Chlorobenzyl)amino]-2-methyl-1-propanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
213.092041838 u |
| Formula |
C11H16ClNO |
| InChI |
InChI=1S/C11H16ClNO/c1-11(2,8-14)13-7-9-3-5-10(12)6-4-9/h3-6,13-14H,7-8H2,1-2H3 |
| InChIKey |
MNZKAQWNFMEAFE-UHFFFAOYSA-N |
| Molecular Weight |
213.708 g/mol |
| SMILES |
C1(Cl)=CC=C(C=C1)CNC(CO)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818972 |