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Piperidine, 1-[(4-nitrophenyl)methyl]-

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Piperidine, 1-[(4-nitrophenyl)methyl]-
SpectraBase Compound ID B9UwNEjw3z6
InChI InChI=1S/C12H16N2O2/c15-14(16)12-6-4-11(5-7-12)10-13-8-2-1-3-9-13/h4-7H,1-3,8-10H2
InChIKey PAMJENUKCYUKLC-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C12H16N2O2
Exact Mass 220.121178 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Eg2QcFryH3J
Name Piperidine, 1-[(4-nitrophenyl)methyl]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.121177761 u
Formula C12H16N2O2
InChI InChI=1S/C12H16N2O2/c15-14(16)12-6-4-11(5-7-12)10-13-8-2-1-3-9-13/h4-7H,1-3,8-10H2
InChIKey PAMJENUKCYUKLC-UHFFFAOYSA-N
Molecular Weight 220.272 g/mol
SMILES C1(=CC=C(CN2CCCCC2)C=C1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826166