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

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6-bromo-3-butyl-7-hydroxy-8-{[4-(2-hydroxyethyl)-1-piperazinyl]methyl}-4-methylcoumarin, dihydrobromide
SpectraBase Compound ID AAbqpd7I7v7
InChI InChI=1S/C21H29BrN2O4.2BrH/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 ROLBODBSUPAIQD-UHFFFAOYSA-N
Mol Weight 615.2 g/mol
Molecular Formula C21H31Br3N2O4
Exact Mass 611.983396 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 169TiR5TQ53
Name 6-bromo-3-butyl-7-hydroxy-8-{[4-(2-hydroxyethyl)-1-piperazinyl]methyl}-4-methylcoumarin, dihydrobromide
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31Br3N2O4
InChI InChI=1S/C21H29BrN2O4.2BrH/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 ROLBODBSUPAIQD-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 52701M
Solvent Polysol