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3-(2-Hydroxyphenyl)-5-[2-(3-phenyl-1,2,3,4-tetrahydronaphthyl)]pyrazole
SpectraBase Compound ID ImSNb9n4mg1
InChI InChI=1S/C25H22N2O/c28-25-13-7-6-12-21(25)23-16-24(27-26-23)22-15-19(17-8-2-1-3-9-17)14-18-10-4-5-11-20(18)22/h1-13,16,19,22,28H,14-15H2,(H,26,27)
InChIKey CKWJHXFWLKWHIT-UHFFFAOYSA-N
Mol Weight 366.46 g/mol
Molecular Formula C25H22N2O
Exact Mass 366.173213 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsqpAQ2aVKl
Name 3-(2-Hydroxyphenyl)-5-[2-(3-phenyl-1,2,3,4-tetrahydronaphthyl)]pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 366.173213335 u
Formula C25H22N2O
InChI InChI=1S/C25H22N2O/c28-25-13-7-6-12-21(25)23-16-24(27-26-23)22-15-19(17-8-2-1-3-9-17)14-18-10-4-5-11-20(18)22/h1-13,16,19,22,28H,14-15H2,(H,26,27)
InChIKey CKWJHXFWLKWHIT-UHFFFAOYSA-N
Molecular Weight 366.464 g/mol
SMILES C1(=CC(C2=C(O)C=CC=C2)=NN1)C1C2=C(C=CC=C2)CC(C1)C1=CC=CC=C1