SpectraBase Spectrum ID |
CV4xvrH5MIk |
Name |
Benzamide, 4-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)13-7-9-14(10-8-13)16(17,18)19/h7-10,12H,4-6,11H2,1-3H3 |
InChIKey |
KBMDSPMUGRHZMN-UHFFFAOYSA-N |
Molecular Weight |
301.353 g/mol |
SMILES |
C1=C(C=CC(=C1)C(F)(F)F)C(=O)N(CCCC)C(CC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878366 |