| SpectraBase Spectrum ID |
B3VGMM05APc |
| Name |
Benzamide, 2-trifluoromethyl-N-benzyl-N-(hept-2-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.196648949 u |
| Formula |
C22H26F3NO |
| InChI |
InChI=1S/C22H26F3NO/c1-3-4-6-11-17(2)26(16-18-12-7-5-8-13-18)21(27)19-14-9-10-15-20(19)22(23,24)25/h5,7-10,12-15,17H,3-4,6,11,16H2,1-2H3 |
| InChIKey |
REOPMVYDVIJEEF-UHFFFAOYSA-N |
| Molecular Weight |
377.451 g/mol |
| SMILES |
C(N(C(CCCCC)C)CC1=CC=CC=C1)(=O)C=1C(C(F)(F)F)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900912 |
