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5-(4'-Methylpiperazin-1'-yl)-2-nitroaniline

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

5-(4'-Methylpiperazin-1'-yl)-2-nitroaniline
SpectraBase Compound ID 8UV7HaGYxTn
InChI InChI=1S/C11H16N4O2/c1-13-4-6-14(7-5-13)9-2-3-11(15(16)17)10(12)8-9/h2-3,8H,4-7,12H2,1H3
InChIKey MWLBMGPQZJDFKZ-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C11H16N4O2
Exact Mass 236.127326 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IwEgZ8wyh99
Name 5-(4'-Methylpiperazin-1'-yl)-2-nitroaniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.127325769 u
Formula C11H16N4O2
InChI InChI=1S/C11H16N4O2/c1-13-4-6-14(7-5-13)9-2-3-11(15(16)17)10(12)8-9/h2-3,8H,4-7,12H2,1H3
InChIKey MWLBMGPQZJDFKZ-UHFFFAOYSA-N
Molecular Weight 236.275 g/mol
SMILES C=1(N(=O)=O)C(=CC(N2CCN(CC2)C)=CC1)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94447