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3-(2-Hydroxyphenyl)-5-{2-[3-(4-nitrophenyl)]-1,2,3,4-tetrahydronaphthyl}pyrazole
SpectraBase Compound ID A8aOsE6LGBY
InChI InChI=1S/C25H21N3O3/c29-25-8-4-3-7-21(25)23-15-24(27-26-23)22-14-18(13-17-5-1-2-6-20(17)22)16-9-11-19(12-10-16)28(30)31/h1-12,15,18,22,29H,13-14H2,(H,26,27)
InChIKey BPDRZJDLDXGTPN-UHFFFAOYSA-N
Mol Weight 411.46 g/mol
Molecular Formula C25H21N3O3
Exact Mass 411.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ew8FwSUSKcs
Name 3-(2-Hydroxyphenyl)-5-{2-[3-(4-nitrophenyl)]-1,2,3,4-tetrahydronaphthyl}pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 411.158291545 u
Formula C25H21N3O3
InChI InChI=1S/C25H21N3O3/c29-25-8-4-3-7-21(25)23-15-24(27-26-23)22-14-18(13-17-5-1-2-6-20(17)22)16-9-11-19(12-10-16)28(30)31/h1-12,15,18,22,29H,13-14H2,(H,26,27)
InChIKey BPDRZJDLDXGTPN-UHFFFAOYSA-N
Molecular Weight 411.461 g/mol
SMILES C1(=CC(C2=C(O)C=CC=C2)=NN1)C1C2=C(C=CC=C2)CC(C1)C=1C=CC(N(=O)=O)=CC1