| SpectraBase Spectrum ID |
DuRc40jWGc3 |
| Name |
Benzamide, N,N-diheptyl-2-trifluoromethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.259249207 u |
| Formula |
C22H34F3NO |
| InChI |
InChI=1S/C22H34F3NO/c1-3-5-7-9-13-17-26(18-14-10-8-6-4-2)21(27)19-15-11-12-16-20(19)22(23,24)25/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3 |
| InChIKey |
ZSTDGVDWRIYMOE-UHFFFAOYSA-N |
| Molecular Weight |
385.515 g/mol |
| SMILES |
C1=CC=C(C(=C1)C(N(CCCCCCC)CCCCCCC)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907016 |
