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

View entire compound with spectra: 2 NMR, and 1 FTIR

6-bromo-3-butyl-7-hydroxy-8-{[4-(2-hydroxyethyl)-1-piperazinyl]methyl}-4-methylcoumarin
SpectraBase Compound ID Gxxd4c4Cp37
InChI InChI=1S/C21H29BrN2O4/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
InChIKey QATJSBAUEHWAID-UHFFFAOYSA-N
Mol Weight 453.38 g/mol
Molecular Formula C21H29BrN2O4
Exact Mass 452.13107 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1KtGmjSIFC3
Name 6-BROMO-3-BUTYL-7-HYDROXY-8-{[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]METHYL}-4-METHYLCOUMARIN
Source of Sample A. CASCAVAL, POLYTECHNIC INSTITUTE OF IASSY, IASI, ROMANIA
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29BrN2O4
InChI InChI=1S/C21H29BrN2O4/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
InChIKey QATJSBAUEHWAID-UHFFFAOYSA-N
Melting Point 146-147C
Molecular Weight 453.382996
Synonyms COUMARIN, 6-BROMO-3-BUTYL- 7-HYDROXY-8-//4-/2-HYDROXYETHYL/- 1-PIPERAZINYL/METHYL/-4-METHYL-,
Technique KBr WAFER