SpectraBase Spectrum ID |
7Wwn2s4dVNZ |
Name |
Piperidine, 1-(4-chloro-2-nitrobenzoyl)-3,5-dimethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
296.092770112 u |
Formula |
C14H17ClN2O3 |
InChI |
InChI=1S/C14H17ClN2O3/c1-9-5-10(2)8-16(7-9)14(18)12-4-3-11(15)6-13(12)17(19)20/h3-4,6,9-10H,5,7-8H2,1-2H3 |
InChIKey |
SDCFKPZPGFJOSW-UHFFFAOYSA-N |
SMILES |
C1(CC(C)CN(C1)C(C1=CC=C(C=C1N(=O)=O)Cl)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830191 |