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4-bromo-3,5-dimethyl-1-{4-[(4-propylphenoxy)methyl]benzoyl}-1H-pyrazole

View entire compound with spectra: 2 NMR

4-bromo-3,5-dimethyl-1-{4-[(4-propylphenoxy)methyl]benzoyl}-1H-pyrazole
SpectraBase Compound ID H3VakGp5iwL
InChI InChI=1S/C22H23BrN2O2/c1-4-5-17-8-12-20(13-9-17)27-14-18-6-10-19(11-7-18)22(26)25-16(3)21(23)15(2)24-25/h6-13H,4-5,14H2,1-3H3
InChIKey JPEGVYSIFUPPNU-UHFFFAOYSA-N
Mol Weight 427.34 g/mol
Molecular Formula C22H23BrN2O2
Exact Mass 426.094291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEwew7gZfcL
Name 4-Bromo-3,5-dimethyl-1-{4-[(4-propylphenoxy)methyl]benzoyl}-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.094290987 u
Formula C22H23BrN2O2
InChI InChI=1S/C22H23BrN2O2/c1-4-5-17-8-12-20(13-9-17)27-14-18-6-10-19(11-7-18)22(26)25-16(3)21(23)15(2)24-25/h6-13H,4-5,14H2,1-3H3
InChIKey JPEGVYSIFUPPNU-UHFFFAOYSA-N
Molecular Weight 427.342 g/mol
SMILES CCCC1=CC=C(OCC=2C=CC(C(N3N=C(C)C(=C3C)Br)=O)=CC2)C=C1