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3-(2H-1,3-Benzodioxol-5-yl)-5-(4-methoxyphenyl)-4,5-dihydropyrazole-1-carbaldehyde

View entire compound with spectra: 1 FTIR

3-(2H-1,3-Benzodioxol-5-yl)-5-(4-methoxyphenyl)-4,5-dihydropyrazole-1-carbaldehyde
SpectraBase Compound ID BkXz39EUQPO
InChI InChI=1S/C18H16N2O4/c1-22-14-5-2-12(3-6-14)16-9-15(19-20(16)10-21)13-4-7-17-18(8-13)24-11-23-17/h2-8,10,16H,9,11H2,1H3
InChIKey DWXSAVXAEOULJV-UHFFFAOYSA-N
Mol Weight 324.34 g/mol
Molecular Formula C18H16N2O4
Exact Mass 324.111007 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2o22z910VMa
Name 3-(2H-1,3-Benzodioxol-5-yl)-5-(4-methoxyphenyl)-4,5-dihydropyrazole-1-carbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.111006999 u
Formula C18H16N2O4
InChI InChI=1S/C18H16N2O4/c1-22-14-5-2-12(3-6-14)16-9-15(19-20(16)10-21)13-4-7-17-18(8-13)24-11-23-17/h2-8,10,16H,9,11H2,1H3
InChIKey DWXSAVXAEOULJV-UHFFFAOYSA-N
Molecular Weight 324.336 g/mol
SMILES C1C(C2=CC=C(OC)C=C2)N(C=O)N=C1C1=CC=2OCOC2C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942308