SpectraBase Spectrum ID |
8OUrlvkg9yJ |
Name |
1-Benzyl-4-(4-(trifluoromethyl)phenyl)-piperidin-4-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)17-8-6-16(7-9-17)18(24)10-12-23(13-11-18)14-15-4-2-1-3-5-15/h1-9,24H,10-14H2 |
InChIKey |
KUIJUDBKQHNZNS-UHFFFAOYSA-N |
Molecular Weight |
335.370 g/mol |
SMILES |
C(C1=CC=C(C2(CCN(CC2)CC=2C=CC=CC2)O)C=C1)(F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846623 |