| SpectraBase Spectrum ID |
AWdBHl5WUBV |
| Name |
1-Benzyl-4-(4-(trifluoromethyl)phenyl)- piperidin-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.149698756 u |
| Formula |
C19H20F3NO |
| InChI |
InChI=1S/C19H20F3NO/c20-19(21,22)16-8-6-15(7-9-16)17-10-11-23(13-18(17)24)12-14-4-2-1-3-5-14/h1-9,17-18,24H,10-13H2 |
| InChIKey |
CLCBYHACAIVKTR-UHFFFAOYSA-N |
| Molecular Weight |
335.370 g/mol |
| SMILES |
C(C=1C=CC(C2C(CN(CC2)CC=2C=CC=CC2)O)=CC1)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918981 |