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2-(3,4-Dimethoxyphenyl)-2-isopropylpentanedinitrile

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

2-(3,4-Dimethoxyphenyl)-2-isopropylpentanedinitrile
SpectraBase Compound ID FgXOtgwvfW9
InChI InChI=1S/C16H20N2O2/c1-12(2)16(11-18,8-5-9-17)13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8H2,1-4H3
InChIKey RSTPHKRGPMBLJJ-UHFFFAOYSA-N
Mol Weight 272.35 g/mol
Molecular Formula C16H20N2O2
Exact Mass 272.152478 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7lzTd1axQ
Name 2-(3,4-Dimethoxyphenyl)-2-isopropylpentanedinitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.152477890 u
Formula C16H20N2O2
InChI InChI=1S/C16H20N2O2/c1-12(2)16(11-18,8-5-9-17)13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8H2,1-4H3
InChIKey RSTPHKRGPMBLJJ-UHFFFAOYSA-N
Molecular Weight 272.348 g/mol
SMILES C1(=C(C=C(C=C1)C(CCC#N)(C(C)C)C#N)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93428