9-[(2E)-3-(2,5-dimethoxyphenyl)-2-propenoyl]-4-methoxy-6-(2-methoxy-2-oxoethyl)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide

SpectraBase Compound ID	6K4zic42cEE
InChI	InChI=1S/C26H30NO8.BrH/c1-27(14-22(29)32-4)11-10-18-19(13-27)24(33-5)26-25(34-15-35-26)23(18)20(28)8-6-16-12-17(30-2)7-9-21(16)31-3;/h6-9,12H,10-11,13-15H2,1-5H3;1H/q+1;/p-1/b8-6+;
InChIKey	KCVDTCNGDULYTN-WVLIHFOGSA-M Google Search
Mol Weight	564.43 g/mol
Molecular Formula	C26H30BrNO8
Exact Mass	563.11548 g/mol

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SpectraBase Spectrum ID	IXfCAlzyXee
Name	9-[(2E)-3-(2,5-dimethoxyphenyl)-2-propenoyl]-4-methoxy-6-(2-methoxy-2-oxoethyl)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C26H30NO8.BrH/c1-27(14-22(29)32-4)11-10-18-19(13-27)24(33-5)26-25(34-15-35-26)23(18)20(28)8-6-16-12-17(30-2)7-9-21(16)31-3;/h6-9,12H,10-11,13-15H2,1-5H3;1H/q+1;/p-1/b8-6+;
InChIKey	KCVDTCNGDULYTN-WVLIHFOGSA-M
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_5369
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: 122528; Labnumber: RRAZNC-246; VK_ID: VK-005372
Synonyms	9-[3-(2,5-dimethoxyphenyl)-2-propenoyl]-4-methoxy-6-(2-methoxy-2-oxoethyl)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide
Temperature	318 °C