| SpectraBase Spectrum ID |
25lgTtwIs5e |
| Name |
Heptanamide, 6-[(1-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]-, [R-(R*,R*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.207547985 u |
| Formula |
C22H27F3N2O |
| InChI |
InChI=1S/C22H27F3N2O/c1-16(26-17(2)18-9-4-3-5-10-18)8-6-7-11-21(28)27-20-14-12-19(13-15-20)22(23,24)25/h3-5,9-10,12-17,26H,6-8,11H2,1-2H3,(H,27,28)/t16-,17-/m1/s1 |
| InChIKey |
TTYBPHQNYGNILR-IAGOWNOFSA-N |
| Molecular Weight |
392.466 g/mol |
| SMILES |
C(C=1C=CC(NC(=O)CCCC[C@](N[C@@](C=2C=CC=CC2)(C)[H])(C)[H])=CC1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872142 |
![Heptanamide, 6-[(1-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]-, [R-(R*,R*)]-](/api/spectrum/25lgTtwIs5e/structure.png?h=300&w=458 "Heptanamide, 6-[(1-phenylethyl)amino]-N-[4-(trifluoromethyl)phenyl]-, [R-(R*,R*)]-")
