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N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methyl-1,3-benzodioxole-5-carboxamide
SpectraBase Compound ID 6VjX1wpJb7n
InChI InChI=1S/C20H19N3O4/c1-13-18(20(25)23(22(13)3)15-7-5-4-6-8-15)21(2)19(24)14-9-10-16-17(11-14)27-12-26-16/h4-11H,12H2,1-3H3
InChIKey MNEPUKXHDJFZGF-UHFFFAOYSA-N
Mol Weight 365.39 g/mol
Molecular Formula C20H19N3O4
Exact Mass 365.137556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AieOOXCgdBa
Name N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methyl-1,3-benzodioxole-5-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.137556100 u
Formula C20H19N3O4
InChI InChI=1S/C20H19N3O4/c1-13-18(20(25)23(22(13)3)15-7-5-4-6-8-15)21(2)19(24)14-9-10-16-17(11-14)27-12-26-16/h4-11H,12H2,1-3H3
InChIKey MNEPUKXHDJFZGF-UHFFFAOYSA-N
Molecular Weight 365.389 g/mol
SMILES C=1(C(N(C2=CC=CC=C2)N(C1C)C)=O)N(C(C1=CC=2OCOC2C=C1)=O)C