SpectraBase Spectrum ID |
3Z21y2hT3J7 |
Name |
1-[(4-Nitrophenyl)amino]piperidin-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
235.095691288 u |
Formula |
C11H13N3O3 |
InChI |
InChI=1S/C11H13N3O3/c15-11-3-1-2-8-13(11)12-9-4-6-10(7-5-9)14(16)17/h4-7,12H,1-3,8H2 |
InChIKey |
LZNGIEPPTKYJJN-UHFFFAOYSA-N |
Molecular Weight |
235.243 g/mol |
SMILES |
C1(N(=O)=O)=CC=C(NN2C(=O)CCCC2)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856146 |