SpectraBase Spectrum ID |
ILdcwg6vJO |
Name |
2-[(2-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)13-7-9-5-3-4-6-10(9)12/h3-6,13-14H,7-8H2,1-2H3 |
InChIKey |
NFOLEFIGDJKTPQ-UHFFFAOYSA-N |
Molecular Weight |
213.708 g/mol |
SMILES |
C1(Cl)=C(C=CC=C1)CNC(CO)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84572 |