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p-bromobenzenesulfonic acid, ester with 6,7-dimethoxy-1-veratryl-3-isoquinolinol
SpectraBase Compound ID C7QJK3ohcaC
InChI InChI=1S/C26H24BrNO7S/c1-31-22-10-5-16(12-23(22)32-2)11-21-20-15-25(34-4)24(33-3)13-17(20)14-26(28-21)35-36(29,30)19-8-6-18(27)7-9-19/h5-10,12-15H,11H2,1-4H3
InChIKey IWXQOGFXWRRSKW-UHFFFAOYSA-N
Mol Weight 574.44 g/mol
Molecular Formula C26H24BrNO7S
Exact Mass 573.045686 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6nVwXQwfDfZ
Name p-BROMOBENZENESULFONIC ACID, ESTER WITH 6,7-DIMETHOXY-1-VERATRYL-3-ISOQUINOLINOL
Source of Sample W. F. Kavanaugh & W. E. Kreighbaum, Mead Johnson Research Center, Evansville, Indiana
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24BrNO7S
InChI InChI=1S/C26H24BrNO7S/c1-31-22-10-5-16(12-23(22)32-2)11-21-20-15-25(34-4)24(33-3)13-17(20)14-26(28-21)35-36(29,30)19-8-6-18(27)7-9-19/h5-10,12-15H,11H2,1-4H3
InChIKey IWXQOGFXWRRSKW-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 15, 1131(1972)
Melting Point 147-148C
Molecular Weight 574.443060
Synonyms BENZENESULFONIC ACID, P-BROMO-, ESTER WITH 6,7-DIMETHOXY-1-VERATRYL- 3-ISOQUINOLINOL 3-ISOQUINOLINOL, 6,7-DIMETHOXY- 1-VERATRYL-, P-BROMOBENZENESULFONATE /ESTER/
Technique KBr WAFER