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N-(2-Pyridinylmethyl)-1-butanamine, N-acetyl-

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

N-(2-Pyridinylmethyl)-1-butanamine, N-acetyl-
SpectraBase Compound ID Dd0P84736KT
InChI InChI=1S/C12H18N2O/c1-3-4-9-14(11(2)15)10-12-7-5-6-8-13-12/h5-8H,3-4,9-10H2,1-2H3
InChIKey ZIRXDUFDUAKSTK-UHFFFAOYSA-N
Mol Weight 206.29 g/mol
Molecular Formula C12H18N2O
Exact Mass 206.141913 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BPlqCVzs75y
Name N-(2-Pyridinylmethyl)-1-butanamine, N-acetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.141913207 u
Formula C12H18N2O
InChI InChI=1S/C12H18N2O/c1-3-4-9-14(11(2)15)10-12-7-5-6-8-13-12/h5-8H,3-4,9-10H2,1-2H3
InChIKey ZIRXDUFDUAKSTK-UHFFFAOYSA-N
Molecular Weight 206.289 g/mol
SMILES C(N(CC1=NC=CC=C1)C(C)=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90419