SpectraBase Spectrum ID |
4hUM2o605nB |
Name |
(4-Benzylpiperidin-1-yl)(4-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/c20-18-8-6-17(7-9-18)19(22)21-12-10-16(11-13-21)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2 |
InChIKey |
WJTLJFMQFABDJA-UHFFFAOYSA-N |
Molecular Weight |
313.828 g/mol |
SMILES |
C(=O)(C1=CC=C(C=C1)Cl)N1CCC(CC1)CC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853632 |