SpectraBase Spectrum ID |
Jh7Fu7EUxYf |
Name |
2-[bis(2-Hydroxyethyl)amino]-6'-chloro-o-acetotoluidide, monohydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.085097909 u |
Formula |
C13H20Cl2N2O3 |
InChI |
InChI=1S/C13H19ClN2O3.ClH/c1-10-3-2-4-11(14)13(10)15-12(19)9-16(5-7-17)6-8-18;/h2-4,17-18H,5-9H2,1H3,(H,15,19);1H |
InChIKey |
YLJKGTHSPPYCIP-UHFFFAOYSA-N |
Molecular Weight |
323.220 g/mol |
SMILES |
Cl.N(C1=C(C=CC=C1Cl)C)C(CN(CCO)CCO)=O |
Spectrum/Structure Validation Score (Raman) |
0.958136 |