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2-[4-methyl-3,5-bis(4-methylphenyl)-1H-pyrazol-1-yl]-N-(4-methylphenyl)acetamide

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2-[4-methyl-3,5-bis(4-methylphenyl)-1H-pyrazol-1-yl]-N-(4-methylphenyl)acetamide
SpectraBase Compound ID 5u14duhW1Xe
InChI InChI=1S/C27H27N3O/c1-18-5-11-22(12-6-18)26-21(4)27(23-13-7-19(2)8-14-23)30(29-26)17-25(31)28-24-15-9-20(3)10-16-24/h5-16H,17H2,1-4H3,(H,28,31)
InChIKey WWLUUYQGSIYFFL-UHFFFAOYSA-N
Mol Weight 409.53 g/mol
Molecular Formula C27H27N3O
Exact Mass 409.215413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1noQSLTkLP2
Name 2-[4-Methyl-3,5-bis(4-methylphenyl)-1H-pyrazol-1-yl]-N-(4-methylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.215412500 u
Formula C27H27N3O
InChI InChI=1S/C27H27N3O/c1-18-5-11-22(12-6-18)26-21(4)27(23-13-7-19(2)8-14-23)30(29-26)17-25(31)28-24-15-9-20(3)10-16-24/h5-16H,17H2,1-4H3,(H,28,31)
InChIKey WWLUUYQGSIYFFL-UHFFFAOYSA-N
Molecular Weight 409.533 g/mol
SMILES N(C(=O)CN1N=C(C2=CC=C(C=C2)C)C(=C1C1=CC=C(C=C1)C)C)C1=CC=C(C=C1)C