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Tocainide ac

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

Tocainide ac
SpectraBase Compound ID CwWhjKbC1DE
InChI InChI=1S/C13H18N2O2/c1-8-6-5-7-9(2)12(8)15-13(17)10(3)14-11(4)16/h5-7,10H,1-4H3,(H,14,16)(H,15,17)
InChIKey GEHWZSUZEPBZNQ-UHFFFAOYSA-N
Mol Weight 234.3 g/mol
Molecular Formula C13H18N2O2
Exact Mass 234.136828 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8lvGGRef5Tk
Name Tocainide ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.136827826 u
Formula C13H18N2O2
InChI InChI=1S/C13H18N2O2/c1-8-6-5-7-9(2)12(8)15-13(17)10(3)14-11(4)16/h5-7,10H,1-4H3,(H,14,16)(H,15,17)
InChIKey GEHWZSUZEPBZNQ-UHFFFAOYSA-N
Molecular Weight 234.299 g/mol
SMILES C1(NC(C(NC(=O)C)C)=O)=C(C=CC=C1C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853784