SpectraBase Spectrum ID |
5AaAOFrY1iw |
Name |
Trichloroacetamide, N-ethyl-N-(3-methylphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
278.998447109 u |
Formula |
C11H12Cl3NO |
InChI |
InChI=1S/C11H12Cl3NO/c1-3-15(10(16)11(12,13)14)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3 |
InChIKey |
DEQXVMATOARFGZ-UHFFFAOYSA-N |
Molecular Weight |
280.582 g/mol |
SMILES |
CCN(C=1C=CC=C(C)C1)C(C(Cl)(Cl)Cl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867314 |