| SpectraBase Spectrum ID |
JDvpQmdJYXM |
| Name |
2,2,3,3,4,4,4-Heptafluoro-N-phenyl-N-(1-phenylpiperidin-4-yl)butanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.138560380 u |
| Formula |
C21H19F7N2O |
| InChI |
InChI=1S/C21H19F7N2O/c22-19(23,20(24,25)21(26,27)28)18(31)30(16-9-5-2-6-10-16)17-11-13-29(14-12-17)15-7-3-1-4-8-15/h1-10,17H,11-14H2 |
| InChIKey |
HQCNFXIXYNDCMQ-UHFFFAOYSA-N |
| Molecular Weight |
448.385 g/mol |
| SMILES |
C(C(C(N(C1CCN(C=2C=CC=CC2)CC1)C=1C=CC=CC1)=O)(F)F)(C(F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861859 |
