SpectraBase Spectrum ID |
6WQ3bhVclHE |
Name |
2',6'-Dichloro-2-(diethylamino)-4'-(dimethylamino)acetanilide, monohydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
353.082845439 u |
Formula |
C14H22Cl3N3O |
InChI |
InChI=1S/C14H21Cl2N3O.ClH/c1-5-19(6-2)9-13(20)17-14-11(15)7-10(18(3)4)8-12(14)16;/h7-8H,5-6,9H2,1-4H3,(H,17,20);1H |
InChIKey |
YZIDFTNQJLQKRK-UHFFFAOYSA-N |
Molecular Weight |
354.709 g/mol |
SMILES |
N(C1=C(C=C(C=C1Cl)N(C)C)Cl)C(CN(CC)CC)=O.Cl |
Spectrum/Structure Validation Score (Raman) |
0.96026 |