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N,N'-bis[Cyanomethyl]terephthalamide

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

N,N'-bis[Cyanomethyl]terephthalamide
SpectraBase Compound ID 9WAcJXr6QWh
InChI InChI=1S/C12H10N4O2/c13-5-7-15-11(17)9-1-2-10(4-3-9)12(18)16-8-6-14/h1-4H,7-8H2,(H,15,17)(H,16,18)
InChIKey ZIWNPFGOLDMBOD-UHFFFAOYSA-N
Mol Weight 242.24 g/mol
Molecular Formula C12H10N4O2
Exact Mass 242.080376 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gwk4GkbQbm0
Name N,N'-bis[Cyanomethyl]terephthalamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.080375576 u
Formula C12H10N4O2
InChI InChI=1S/C12H10N4O2/c13-5-7-15-11(17)9-1-2-10(4-3-9)12(18)16-8-6-14/h1-4H,7-8H2,(H,15,17)(H,16,18)
InChIKey ZIWNPFGOLDMBOD-UHFFFAOYSA-N
Molecular Weight 242.238 g/mol
SMILES C1=CC(=CC=C1C(NCC#N)=O)C(=O)NCC#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844426