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5-(2-Hydroxyphenyl)-1-phenyl-3-{2-[3-(4-nitrophenyl)-1,2,3,4-tetrahydronaphthyl]}pyrazole
SpectraBase Compound ID JVhC6zF3WRX
InChI InChI=1S/C31H25N3O3/c35-31-13-7-6-12-26(31)30-20-29(32-33(30)24-10-2-1-3-11-24)28-19-23-9-5-4-8-22(23)18-27(28)21-14-16-25(17-15-21)34(36)37/h1-17,20,27-28,35H,18-19H2
InChIKey IUJSNSBJEGWDHC-UHFFFAOYSA-N
Mol Weight 487.56 g/mol
Molecular Formula C31H25N3O3
Exact Mass 487.189592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kla6O617pAN
Name 5-(2-Hydroxyphenyl)-1-phenyl-3-{2-[3-(4-nitrophenyl)-1,2,3,4-tetrahydronaphthyl]}pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.189591674 u
Formula C31H25N3O3
InChI InChI=1S/C31H25N3O3/c35-31-13-7-6-12-26(31)30-20-29(32-33(30)24-10-2-1-3-11-24)28-19-23-9-5-4-8-22(23)18-27(28)21-14-16-25(17-15-21)34(36)37/h1-17,20,27-28,35H,18-19H2
InChIKey IUJSNSBJEGWDHC-UHFFFAOYSA-N
Molecular Weight 487.559 g/mol
SMILES C=1(N(N=C(C1)C1C(CC2=C(C1)C=CC=C2)C=1C=CC(N(=O)=O)=CC1)C=1C=CC=CC1)C1=C(O)C=CC=C1