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2-(4-Methoxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-enenitrile

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

2-(4-Methoxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
SpectraBase Compound ID 7GdLckAodaI
InChI InChI=1S/C18H15NO4/c1-20-14-5-3-12(4-6-14)9-13(10-19)15-7-8-16-18(17(15)21-2)23-11-22-16/h3-9H,11H2,1-2H3/b13-9+
InChIKey AKLHNLVGKJAGET-UKTHLTGXSA-N
Mol Weight 309.32 g/mol
Molecular Formula C18H15NO4
Exact Mass 309.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CGFaGEOckb0
Name 2-(4-Methoxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)prop-2-enenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.100107963 u
Formula C18H15NO4
InChI InChI=1S/C18H15NO4/c1-20-14-5-3-12(4-6-14)9-13(10-19)15-7-8-16-18(17(15)21-2)23-11-22-16/h3-9H,11H2,1-2H3/b13-9+
InChIKey AKLHNLVGKJAGET-UKTHLTGXSA-N
SMILES C12=CC=C(C(=C2OCO1)OC)\C(=C\C=1C=CC(=CC1)OC)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834508