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1-[(4-Nitrophenyl)amino]piperidin-2-one
SpectraBase Compound ID 5Xc6YdMELHW
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
Mol Weight 235.24 g/mol
Molecular Formula C11H13N3O3
Exact Mass 235.095691 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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