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1H-pyrazole-1-butanoic acid, 3-(4-bromophenyl)-4,5-dihydro-5-(2-hydroxyphenyl)-gamma-oxo-

View entire compound with spectra: 2 NMR

1H-pyrazole-1-butanoic acid, 3-(4-bromophenyl)-4,5-dihydro-5-(2-hydroxyphenyl)-gamma-oxo-
SpectraBase Compound ID A1RivvdTTds
InChI InChI=1S/C19H17BrN2O4/c20-13-7-5-12(6-8-13)15-11-16(14-3-1-2-4-17(14)23)22(21-15)18(24)9-10-19(25)26/h1-8,16,23H,9-11H2,(H,25,26)
InChIKey JHDIQDXWNHIDHH-UHFFFAOYSA-N
Mol Weight 417.26 g/mol
Molecular Formula C19H17BrN2O4
Exact Mass 416.03717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4MPO6ALQscE
Name 1H-Pyrazole-1-butanoic acid, 3-(4-bromophenyl)-4,5-dihydro-5-(2-hydroxyphenyl)-gamma-oxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.037170031 u
Formula C19H17BrN2O4
InChI InChI=1S/C19H17BrN2O4/c20-13-7-5-12(6-8-13)15-11-16(14-3-1-2-4-17(14)23)22(21-15)18(24)9-10-19(25)26/h1-8,16,23H,9-11H2,(H,25,26)
InChIKey JHDIQDXWNHIDHH-UHFFFAOYSA-N
Molecular Weight 417.259 g/mol
SMILES OC(CCC(N1C(C=2C(=CC=CC2)O)CC(=N1)C=1C=CC(=CC1)Br)=O)=O