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2,2-bis[[3,4,5-Trimethoxyphenyl]methyl]propanedinitrile

View entire compound with spectra: 1 FTIR

2,2-bis[[3,4,5-Trimethoxyphenyl]methyl]propanedinitrile
SpectraBase Compound ID HeTTjx3OmAJ
InChI InChI=1S/C23H26N2O6/c1-26-17-7-15(8-18(27-2)21(17)30-5)11-23(13-24,14-25)12-16-9-19(28-3)22(31-6)20(10-16)29-4/h7-10H,11-12H2,1-6H3
InChIKey SZCFSEDSRVEIGX-UHFFFAOYSA-N
Mol Weight 426.47 g/mol
Molecular Formula C23H26N2O6
Exact Mass 426.179087 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 23kaFXsQTsF
Name 2,2-bis[[3,4,5-Trimethoxyphenyl]methyl]propanedinitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.179086559 u
Formula C23H26N2O6
InChI InChI=1S/C23H26N2O6/c1-26-17-7-15(8-18(27-2)21(17)30-5)11-23(13-24,14-25)12-16-9-19(28-3)22(31-6)20(10-16)29-4/h7-10H,11-12H2,1-6H3
InChIKey SZCFSEDSRVEIGX-UHFFFAOYSA-N
Molecular Weight 426.469 g/mol
SMILES C1=C(C=C(C(=C1OC)OC)OC)CC(CC1=CC(=C(C(=C1)OC)OC)OC)(C#N)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934244