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6-bromo-3-butyl-7-hydroxy-8-{[4-(2-hydroxyethyl)-1-piperazinyl]methyl}-4-methylcoumarin, dihydrochloride

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6-bromo-3-butyl-7-hydroxy-8-{[4-(2-hydroxyethyl)-1-piperazinyl]methyl}-4-methylcoumarin, dihydrochloride
SpectraBase Compound ID 79Tk2u69Cjp
InChI InChI=1S/C21H29BrN2O4.2ClH/c1-3-4-5-15-14(2)16-12-18(22)19(26)17(20(16)28-21(15)27)13-24-8-6-23(7-9-24)10-11-25;;/h12,25-26H,3-11,13H2,1-2H3;2*1H
InChIKey KOCGTGYWIYRZLM-UHFFFAOYSA-N
Mol Weight 526.3 g/mol
Molecular Formula C21H31BrCl2N2O4
Exact Mass 524.084426 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LucCz5spBNl
Name 6-bromo-3-butyl-7-hydroxy-8-{[4-(2-hydroxyethyl)-1-piperazinyl]methyl}-4-methylcoumarin, dihydrochloride
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31BrCl2N2O4
InChI InChI=1S/C21H29BrN2O4.2ClH/c1-3-4-5-15-14(2)16-12-18(22)19(26)17(20(16)28-21(15)27)13-24-8-6-23(7-9-24)10-11-25;;/h12,25-26H,3-11,13H2,1-2H3;2*1H
InChIKey KOCGTGYWIYRZLM-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 52692M
Solvent DMSO-d6