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3-[3-(dimethylamino)propoxy]-1-phenyl-1H-indazole
SpectraBase Compound ID AHzuGajVOpc
InChI InChI=1S/C18H21N3O/c1-20(2)13-8-14-22-18-16-11-6-7-12-17(16)21(19-18)15-9-4-3-5-10-15/h3-7,9-12H,8,13-14H2,1-2H3
InChIKey MPUQRKHBAZHYJI-UHFFFAOYSA-N
Mol Weight 295.39 g/mol
Molecular Formula C18H21N3O
Exact Mass 295.168462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6IAqPFQXVcg
Name 3-[3-(Dimethylamino)propoxy]-1-phenyl-1H-indazole
Comments Computed using HOSE algorithm
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Exact Mass 295.168462307 u
Formula C18H21N3O
InChI InChI=1S/C18H21N3O/c1-20(2)13-8-14-22-18-16-11-6-7-12-17(16)21(19-18)15-9-4-3-5-10-15/h3-7,9-12H,8,13-14H2,1-2H3
InChIKey MPUQRKHBAZHYJI-UHFFFAOYSA-N
SMILES C=12C=CC=CC1N(N=C2OCCCN(C)C)C=1C=CC=CC1