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3(5)-(4-Bromophenyl)-5(3)-[3-(2-hydroxyphenyl)pyrazol-4-yl]pyrazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3(5)-(4-Bromophenyl)-5(3)-[3-(2-hydroxyphenyl)pyrazol-4-yl]pyrazole
SpectraBase Compound ID 59t7SOl5cb6
InChI InChI=1S/C18H13BrN4O/c19-12-7-5-11(6-8-12)15-9-16(22-21-15)14-10-20-23-18(14)13-3-1-2-4-17(13)24/h1-10,24H,(H,20,23)(H,21,22)
InChIKey ZBQUTDWXGSUAOU-UHFFFAOYSA-N
Mol Weight 381.23 g/mol
Molecular Formula C18H13BrN4O
Exact Mass 380.027274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5bntY150fbJ
Name 3(5)-(4-Bromophenyl)-5(3)-[3-(2-hydroxyphenyl)pyrazol-4-yl]pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.027274054 u
Formula C18H13BrN4O
InChI InChI=1S/C18H13BrN4O/c19-12-7-5-11(6-8-12)15-9-16(22-21-15)14-10-20-23-18(14)13-3-1-2-4-17(13)24/h1-10,24H,(H,20,23)(H,21,22)
InChIKey ZBQUTDWXGSUAOU-UHFFFAOYSA-N
Molecular Weight 381.233 g/mol
SMILES C=1(C(C=2C(O)=CC=CC2)=NNC1)C1=CC(C=2C=CC(=CC2)Br)=NN1