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

SpectraBase Compound ID	BpP7zFZAbYT
InChI	InChI=1S/C25H28NO6.BrH/c1-16-5-7-17(8-6-16)9-10-20(27)22-18-11-12-26(2,14-21(28)29-3)13-19(18)23(30-4)25-24(22)31-15-32-25;/h5-10H,11-15H2,1-4H3;1H/q+1;/p-1/b10-9+;
InChIKey	ZWJMOUDQOCNUMP-RRABGKBLSA-M Google Search
Mol Weight	518.4 g/mol
Molecular Formula	C25H28BrNO6
Exact Mass	517.110001 g/mol

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SpectraBase Spectrum ID	2D3JoUJvfob
Name	4-methoxy-6-(2-methoxy-2-oxoethyl)-6-methyl-9-[(2E)-3-(4-methylphenyl)-2-propenoyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C25H28NO6.BrH/c1-16-5-7-17(8-6-16)9-10-20(27)22-18-11-12-26(2,14-21(28)29-3)13-19(18)23(30-4)25-24(22)31-15-32-25;/h5-10H,11-15H2,1-4H3;1H/q+1;/p-1/b10-9+;
InChIKey	ZWJMOUDQOCNUMP-RRABGKBLSA-M
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_5370
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: 122531; Labnumber: RRAZNC-249; VK_ID: VK-005373
Synonyms	4-methoxy-6-(2-methoxy-2-oxoethyl)-6-methyl-9-[3-(4-methylphenyl)-2-propenoyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium bromide
Temperature	318 °C