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2-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]propanedinitrile

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

2-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]propanedinitrile
SpectraBase Compound ID GOZ4NXnnjMv
InChI InChI=1S/C13H12N2O3/c1-17-12-4-3-10(6-13(12)18-2)11(16)5-9(7-14)8-15/h3-4,6,9H,5H2,1-2H3
InChIKey QDBKDDQBOBFIMV-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C13H12N2O3
Exact Mass 244.084792 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1dMUT7Bl6Ib
Name 2-[2-(3,4-Dimethoxyphenyl)-2-oxoethyl]propanedinitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.084792251 u
Formula C13H12N2O3
InChI InChI=1S/C13H12N2O3/c1-17-12-4-3-10(6-13(12)18-2)11(16)5-9(7-14)8-15/h3-4,6,9H,5H2,1-2H3
InChIKey QDBKDDQBOBFIMV-UHFFFAOYSA-N
Molecular Weight 244.250 g/mol
SMILES C(C#N)(C#N)CC(C1=CC(OC)=C(OC)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876167