SpectraBase Spectrum ID |
KglwPVD745I |
Name |
Benzamide, 4-trifluoromethyl-N-(2-butyl)-N-heptyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
343.212299014 u |
Formula |
C19H28F3NO |
InChI |
InChI=1S/C19H28F3NO/c1-4-6-7-8-9-14-23(15(3)5-2)18(24)16-10-12-17(13-11-16)19(20,21)22/h10-13,15H,4-9,14H2,1-3H3 |
InChIKey |
IZCFBGRMJGWPNT-UHFFFAOYSA-N |
Molecular Weight |
343.434 g/mol |
SMILES |
C1=C(C=CC(=C1)C(F)(F)F)C(=O)N(CCCCCCC)C(CC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877183 |