SpectraBase Spectrum ID |
49ztTFxioRN |
Name |
Benzamide, 3-fluoro-4-trifluoromethyl-N-(3-fluoro-4-trifluoromethylbenzoyl)-N-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
411.050553836 u |
Formula |
C17H9F8NO2 |
InChI |
InChI=1S/C17H9F8NO2/c1-26(14(27)8-2-4-10(12(18)6-8)16(20,21)22)15(28)9-3-5-11(13(19)7-9)17(23,24)25/h2-7H,1H3 |
InChIKey |
GZUQOWFOJSXCJH-UHFFFAOYSA-N |
Molecular Weight |
411.251 g/mol |
SMILES |
C(N(C)C(C1=CC=C(C(=C1)F)C(F)(F)F)=O)(=O)C=1C=CC(=C(F)C1)C(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940686 |