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1,2,4-Oxadiazole-5-carboxamide, 3-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-
SpectraBase Compound ID LUXyfIYN581
InChI InChI=1S/C20H19N3O6/c1-25-14-5-3-12(9-16(14)26-2)7-8-21-19(24)20-22-18(23-29-20)13-4-6-15-17(10-13)28-11-27-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,24)
InChIKey DPQQRNPKGSFDLU-UHFFFAOYSA-N
Mol Weight 397.39 g/mol
Molecular Formula C20H19N3O6
Exact Mass 397.127385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6vLLFKZFcgf
Name 1,2,4-Oxadiazole-5-carboxamide, 3-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.127385338 u
Formula C20H19N3O6
InChI InChI=1S/C20H19N3O6/c1-25-14-5-3-12(9-16(14)26-2)7-8-21-19(24)20-22-18(23-29-20)13-4-6-15-17(10-13)28-11-27-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,24)
InChIKey DPQQRNPKGSFDLU-UHFFFAOYSA-N
Molecular Weight 397.387 g/mol
SMILES C1(=NOC(=N1)C(NCCC=1C=C(C(=CC1)OC)OC)=O)C1=CC2=C(C=C1)OCO2