SpectraBase Spectrum ID |
FmPxV1FcmWY |
Name |
N-(4-Chloro-2-nitrophenyl)-pyrrolidine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
226.050905300 u |
Formula |
C10H11ClN2O2 |
InChI |
InChI=1S/C10H11ClN2O2/c11-8-3-4-9(10(7-8)13(14)15)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2 |
InChIKey |
QATZMIJXHKOELL-UHFFFAOYSA-N |
Molecular Weight |
226.663 g/mol |
SMILES |
C1(Cl)=CC(N(=O)=O)=C(N2CCCC2)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850815 |