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N,N-bis[Cyanoethyl]terephthalamide

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N,N-bis[Cyanoethyl]terephthalamide
SpectraBase Compound ID HKRq3PcgFuG
InChI InChI=1S/C14H14N4O2/c15-7-1-9-17-13(19)11-3-5-12(6-4-11)14(20)18-10-2-8-16/h3-6H,1-2,9-10H2,(H,17,19)(H,18,20)
InChIKey SOMQVVWPTWRTSJ-UHFFFAOYSA-N
Mol Weight 270.29 g/mol
Molecular Formula C14H14N4O2
Exact Mass 270.111676 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BxlTVLtaQmh
Name N,N-bis[Cyanoethyl]terephthalamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.111675705 u
Formula C14H14N4O2
InChI InChI=1S/C14H14N4O2/c15-7-1-9-17-13(19)11-3-5-12(6-4-11)14(20)18-10-2-8-16/h3-6H,1-2,9-10H2,(H,17,19)(H,18,20)
InChIKey SOMQVVWPTWRTSJ-UHFFFAOYSA-N
SMILES C1=C(C=CC(=C1)C(NCCC#N)=O)C(NCCC#N)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95356