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3-butyl-7-hydroxy-4-methyl-8-[(4-methylpiperidino)methyl]coumarin, hydrobromide
SpectraBase Compound ID 2MZIYSGlEZh
InChI InChI=1S/C21H29NO3.BrH/c1-4-5-6-17-15(3)16-7-8-19(23)18(20(16)25-21(17)24)13-22-11-9-14(2)10-12-22;/h7-8,14,23H,4-6,9-13H2,1-3H3;1H
InChIKey PFQVBJDZVALIIK-UHFFFAOYSA-N
Mol Weight 424.38 g/mol
Molecular Formula C21H30BrNO3
Exact Mass 423.140907 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38asLa4OkwP
Name 3-butyl-7-hydroxy-4-methyl-8-[(4-methylpiperidino)methyl]coumarin, hydrobromide
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Formula C21H30BrNO3
InChI InChI=1S/C21H29NO3.BrH/c1-4-5-6-17-15(3)16-7-8-19(23)18(20(16)25-21(17)24)13-22-11-9-14(2)10-12-22;/h7-8,14,23H,4-6,9-13H2,1-3H3;1H
InChIKey PFQVBJDZVALIIK-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 52700M
Solvent Polysol