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4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide
SpectraBase Compound ID 4txY82AVJdb
InChI InChI=1S/C28H27N3O3/c1-19-26(28(33)31(30(19)2)24-9-4-3-5-10-24)29-27(32)22-13-11-20(12-14-22)18-34-25-16-15-21-7-6-8-23(21)17-25/h3-5,9-17H,6-8,18H2,1-2H3,(H,29,32)
InChIKey HQIWDKYIRACGKI-UHFFFAOYSA-N
Mol Weight 453.54 g/mol
Molecular Formula C28H27N3O3
Exact Mass 453.205242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYneBlyjzcx
Name 4-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.205241738 u
Formula C28H27N3O3
InChI InChI=1S/C28H27N3O3/c1-19-26(28(33)31(30(19)2)24-9-4-3-5-10-24)29-27(32)22-13-11-20(12-14-22)18-34-25-16-15-21-7-6-8-23(21)17-25/h3-5,9-17H,6-8,18H2,1-2H3,(H,29,32)
InChIKey HQIWDKYIRACGKI-UHFFFAOYSA-N
Molecular Weight 453.542 g/mol
SMILES N(C=1C(N(C=2C=CC=CC2)N(C1C)C)=O)C(C=1C=CC(COC=2C=C3CCCC3=CC2)=CC1)=O