| SpectraBase Spectrum ID |
GYaJlLbCHJf |
| Name |
Tert-butyl 4-(4-(trifluoromethyl)phenyl)piperidine-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.160263439 u |
| Formula |
C17H22F3NO2 |
| InChI |
InChI=1S/C17H22F3NO2/c1-16(2,3)23-15(22)21-10-8-13(9-11-21)12-4-6-14(7-5-12)17(18,19)20/h4-7,13H,8-11H2,1-3H3 |
| InChIKey |
OFIMREKXBPVBFH-UHFFFAOYSA-N |
| Molecular Weight |
329.363 g/mol |
| SMILES |
C=1C(=CC=C(C2CCN(CC2)C(OC(C)(C)C)=O)C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935269 |
