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Methyl 1-benzoyl-4,5,6,7-tetrahydro-3-phenyl-1H-indazole-5(6)-carboxylate

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

Methyl 1-benzoyl-4,5,6,7-tetrahydro-3-phenyl-1H-indazole-5(6)-carboxylate
SpectraBase Compound ID CIoGe1QE1Qj
InChI InChI=1S/C22H20N2O3/c1-27-22(26)17-12-13-19-18(14-17)20(15-8-4-2-5-9-15)23-24(19)21(25)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3
InChIKey GLNXUMGDPNHHHT-UHFFFAOYSA-N
Mol Weight 360.41 g/mol
Molecular Formula C22H20N2O3
Exact Mass 360.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3j3jsT3EJG3
Name Methyl 1-benzoyl-4,5,6,7-tetrahydro-3-phenyl-1H-indazole-5(6)-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 360.147392509 u
Formula C22H20N2O3
InChI InChI=1S/C22H20N2O3/c1-27-22(26)17-12-13-19-18(14-17)20(15-8-4-2-5-9-15)23-24(19)21(25)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3
InChIKey GLNXUMGDPNHHHT-UHFFFAOYSA-N
Molecular Weight 360.413 g/mol
SMILES C1(=NN(C2=C1CC(CC2)C(=O)OC)C(=O)C=1C=CC=CC1)C=1C=CC=CC1