SpectraBase Spectrum ID |
E6WgunKulzb |
Name |
Benzamide, 2,3,4-trifluoro-N-benzyl-N-hexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
349.165348820 u |
Formula |
C20H22F3NO |
InChI |
InChI=1S/C20H22F3NO/c1-2-3-4-8-13-24(14-15-9-6-5-7-10-15)20(25)16-11-12-17(21)19(23)18(16)22/h5-7,9-12H,2-4,8,13-14H2,1H3 |
InChIKey |
PSVHTGPGUBWONJ-UHFFFAOYSA-N |
Molecular Weight |
349.397 g/mol |
SMILES |
C(N(CCCCCC)CC1=CC=CC=C1)(=O)C=1C(F)=C(C(=CC1)F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81545 |