| SpectraBase Spectrum ID |
F68o59HH924 |
| Name |
(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.123341967 u |
| Formula |
C19H20ClNO |
| InChI |
InChI=1S/C19H20ClNO/c20-18-8-4-7-17(14-18)19(22)21-11-9-16(10-12-21)13-15-5-2-1-3-6-15/h1-8,14,16H,9-13H2 |
| InChIKey |
GHPWLZRRFXHNMA-UHFFFAOYSA-N |
| Molecular Weight |
313.828 g/mol |
| SMILES |
C1=C(CC2CCN(CC2)C(C2=CC=CC(Cl)=C2)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822917 |
