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N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-phenoxybutanamide
SpectraBase Compound ID HG0cTtLu3CW
InChI InChI=1S/C21H23N3O3/c1-4-18(27-17-13-9-6-10-14-17)20(25)22-19-15(2)23(3)24(21(19)26)16-11-7-5-8-12-16/h5-14,18H,4H2,1-3H3,(H,22,25)
InChIKey UAKZRNMJILAIPL-UHFFFAOYSA-N
Mol Weight 365.43 g/mol
Molecular Formula C21H23N3O3
Exact Mass 365.173942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Rjoais3QVu
Name N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-phenoxybutanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.173941610 u
Formula C21H23N3O3
InChI InChI=1S/C21H23N3O3/c1-4-18(27-17-13-9-6-10-14-17)20(25)22-19-15(2)23(3)24(21(19)26)16-11-7-5-8-12-16/h5-14,18H,4H2,1-3H3,(H,22,25)
InChIKey UAKZRNMJILAIPL-UHFFFAOYSA-N
Molecular Weight 365.433 g/mol
SMILES N(C=1C(N(C2=CC=CC=C2)N(C1C)C)=O)C(C(OC1=CC=CC=C1)CC)=O