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4H-indazol-4-one, 3-(3-bromophenyl)-2,5,6,7-tetrahydro-6,6-dimethyl-2-phenyl-

View entire compound with spectra: 2 NMR

4H-indazol-4-one, 3-(3-bromophenyl)-2,5,6,7-tetrahydro-6,6-dimethyl-2-phenyl-
SpectraBase Compound ID CHUSD4apcfl
InChI InChI=1S/C21H19BrN2O/c1-21(2)12-17-19(18(25)13-21)20(14-7-6-8-15(22)11-14)24(23-17)16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3
InChIKey DROGHMATCNVZHM-UHFFFAOYSA-N
Mol Weight 395.3 g/mol
Molecular Formula C21H19BrN2O
Exact Mass 394.068076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gx0Ot8Xi25V
Name 4H-Indazol-4-one, 3-(3-bromophenyl)-2,5,6,7-tetrahydro-6,6-dimethyl-2-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 394.068076239 u
Formula C21H19BrN2O
InChI InChI=1S/C21H19BrN2O/c1-21(2)12-17-19(18(25)13-21)20(14-7-6-8-15(22)11-14)24(23-17)16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3
InChIKey DROGHMATCNVZHM-UHFFFAOYSA-N
Molecular Weight 395.300 g/mol
SMILES C1=CC=C(N2C(=C3C(CC(CC3=N2)(C)C)=O)C=2C=C(Br)C=CC2)C=C1