SpectraBase Spectrum ID |
KDZvEzrlhIY |
Name |
Benzamide, 2-trifluoromethyl-N-ethyl-N-butyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
273.134048692 u |
Formula |
C14H18F3NO |
InChI |
InChI=1S/C14H18F3NO/c1-3-5-10-18(4-2)13(19)11-8-6-7-9-12(11)14(15,16)17/h6-9H,3-5,10H2,1-2H3 |
InChIKey |
CMLALNHFTWYVTC-UHFFFAOYSA-N |
Molecular Weight |
273.299 g/mol |
SMILES |
C1=CC=C(C(=C1)C(F)(F)F)C(N(CC)CCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873661 |