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5-(4'-Methyl-1'-piperazinyl)-2-nitrophenol

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

5-(4'-Methyl-1'-piperazinyl)-2-nitrophenol
SpectraBase Compound ID KnL78AXg25Y
InChI InChI=1S/C11H15N3O3/c1-12-4-6-13(7-5-12)9-2-3-10(14(16)17)11(15)8-9/h2-3,8,15H,4-7H2,1H3
InChIKey BLMXJZMAOSBIQS-UHFFFAOYSA-N
Mol Weight 237.26 g/mol
Molecular Formula C11H15N3O3
Exact Mass 237.111341 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L1eDV3uO6vw
Name 5-(4'-Methyl-1'-piperazinyl)-2-nitrophenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.111341352 u
Formula C11H15N3O3
InChI InChI=1S/C11H15N3O3/c1-12-4-6-13(7-5-12)9-2-3-10(14(16)17)11(15)8-9/h2-3,8,15H,4-7H2,1H3
InChIKey BLMXJZMAOSBIQS-UHFFFAOYSA-N
Molecular Weight 237.259 g/mol
SMILES C=1(N(=O)=O)C(=CC(N2CCN(CC2)C)=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950435