SpectraBase Spectrum ID |
V1CHlM5bA8 |
Name |
2-Chloro-1-N,1-N-dimethylbenzene-1,4-diamine, 4-N-acetyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
212.071640746 u |
Formula |
C10H13ClN2O |
InChI |
InChI=1S/C10H13ClN2O/c1-7(14)12-8-4-5-10(13(2)3)9(11)6-8/h4-6H,1-3H3,(H,12,14) |
InChIKey |
KHDFSFTZNAPCLM-UHFFFAOYSA-N |
Molecular Weight |
212.680 g/mol |
SMILES |
C1(Cl)=C(C=CC(=C1)NC(C)=O)N(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950882 |