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

View entire compound with spectra: 2 NMR

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-isopropylbenzamide
SpectraBase Compound ID 18O4lSURVFN
InChI InChI=1S/C21H23N3O2/c1-14(2)16-10-12-17(13-11-16)20(25)22-19-15(3)23(4)24(21(19)26)18-8-6-5-7-9-18/h5-14H,1-4H3,(H,22,25)
InChIKey FXRSBVKYOKDFAV-UHFFFAOYSA-N
Mol Weight 349.43 g/mol
Molecular Formula C21H23N3O2
Exact Mass 349.179027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gb3xvzQccLA
Name N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-isopropylbenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.179026991 u
Formula C21H23N3O2
InChI InChI=1S/C21H23N3O2/c1-14(2)16-10-12-17(13-11-16)20(25)22-19-15(3)23(4)24(21(19)26)18-8-6-5-7-9-18/h5-14H,1-4H3,(H,22,25)
InChIKey FXRSBVKYOKDFAV-UHFFFAOYSA-N
Molecular Weight 349.434 g/mol
SMILES N(C=1C(N(C=2C=CC=CC2)N(C1C)C)=O)C(C=1C=CC(C(C)C)=CC1)=O