SpectraBase Spectrum ID |
7FkNYok8qcA |
Name |
Benzamide, 2-trifluoromethyl-N-(2-butyl)-N-butyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
301.165348820 u |
Formula |
C16H22F3NO |
InChI |
InChI=1S/C16H22F3NO/c1-4-6-11-20(12(3)5-2)15(21)13-9-7-8-10-14(13)16(17,18)19/h7-10,12H,4-6,11H2,1-3H3 |
InChIKey |
GBHJCPAJSMPHGF-UHFFFAOYSA-N |
Molecular Weight |
301.353 g/mol |
SMILES |
C(=O)(N(CCCC)C(CC)C)C=1C(C(F)(F)F)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924036 |