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5-(4-Methylpiperidino)-2-nitrophenol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

5-(4-Methylpiperidino)-2-nitrophenol
SpectraBase Compound ID KcIEsFbnuTK
InChI InChI=1S/C12H16N2O3/c1-9-4-6-13(7-5-9)10-2-3-11(14(16)17)12(15)8-10/h2-3,8-9,15H,4-7H2,1H3
InChIKey XLBYPCXKNAUCKD-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C12H16N2O3
Exact Mass 236.116092 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7YpoLJklOBT
Name 5-(4-Methylpiperidino)-2-nitrophenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.116092380 u
Formula C12H16N2O3
InChI InChI=1S/C12H16N2O3/c1-9-4-6-13(7-5-9)10-2-3-11(14(16)17)12(15)8-10/h2-3,8-9,15H,4-7H2,1H3
InChIKey XLBYPCXKNAUCKD-UHFFFAOYSA-N
Molecular Weight 236.271 g/mol
SMILES N(=O)(=O)C=1C(=CC(=CC1)N1CCC(CC1)C)O
Spectrum/Structure Validation Score (Raman) 0.90601