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 Google Search
Mol Weight	526.3 g/mol
Molecular Formula	C21H31BrCl2N2O4
Exact Mass	524.084426 g/mol

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SpectraBase Spectrum ID	JPtQuPgF7AU
Name	6-BROMO-3-BUTYL-7-HYDROXY-8-{[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]METHYL}-4-METHYLCOUMARIN, DIHYDROCHLORIDE
Source of Sample	A. CASCAVAL, POLYTECHNIC INSTITUTE OF IASSY, IASI, ROMANIA
Copyright	Copyright © 1980, 1981-2024 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
Melting Point	199-200C (dec.)
Molecular Weight	526.299011
Synonyms	COUMARIN, 6-BROMO-3-BUTYL- 7-HYDROXY-8-//4-/2-HYDROXYETHYL/- 1-PIPERAZINYL/METHYL/-4-METHYL-, DI- HYDROCHLORIDE
Technique	KBr WAFER