SpectraBase Spectrum ID |
2b1IJ3ujI3o |
Name |
N-(3,4-Dichlorophenyl)-3-methylbenzamide, N-trifluoroacetyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
375.004068453 u |
Formula |
C16H10Cl2F3NO2 |
InChI |
InChI=1S/C16H10Cl2F3NO2/c1-9-3-2-4-10(7-9)14(23)22(15(24)16(19,20)21)11-5-6-12(17)13(18)8-11/h2-8H,1H3 |
InChIKey |
RFCSVGUTSFRTMR-UHFFFAOYSA-N |
Molecular Weight |
376.162 g/mol |
SMILES |
C1(Cl)=C(C=CC(=C1)N(C(=O)C1=CC(=CC=C1)C)C(C(F)(F)F)=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817561 |