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(2E)-3-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-propenamide

View entire compound with spectra: 2 NMR

(2E)-3-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-propenamide
SpectraBase Compound ID IGfFtmhTVuc
InChI InChI=1S/C21H19N3O4/c1-14-20(21(26)24(23(14)2)16-6-4-3-5-7-16)22-19(25)11-9-15-8-10-17-18(12-15)28-13-27-17/h3-12H,13H2,1-2H3,(H,22,25)/b11-9+
InChIKey WCEHPQFGQMUFFT-PKNBQFBNSA-N
Mol Weight 377.4 g/mol
Molecular Formula C21H19N3O4
Exact Mass 377.137556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3IyejbqUEa
Name (2E)-3-(1,3-Benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.137556100 u
Formula C21H19N3O4
InChI InChI=1S/C21H19N3O4/c1-14-20(21(26)24(23(14)2)16-6-4-3-5-7-16)22-19(25)11-9-15-8-10-17-18(12-15)28-13-27-17/h3-12H,13H2,1-2H3,(H,22,25)/b11-9+
InChIKey WCEHPQFGQMUFFT-PKNBQFBNSA-N
Molecular Weight 377.400 g/mol
SMILES N(C=1C(N(C=2C=CC=CC2)N(C1C)C)=O)C(\C=C\C=1C=C2OCOC2=CC1)=O