9-{(2E)-3-[4-(allyloxy)phenyl]-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	BisjVB7BoIx
InChI	InChI=1S/C27H30NO7.BrH/c1-5-14-33-19-9-6-18(7-10-19)8-11-22(29)24-20-12-13-28(2,16-23(30)31-3)15-21(20)25(32-4)27-26(24)34-17-35-27;/h5-11H,1,12-17H2,2-4H3;1H/q+1;/p-1/b11-8+;
InChIKey	MCBMOLFORSOTPY-YGCVIUNWSA-M Google Search
Mol Weight	560.44 g/mol
Molecular Formula	C27H30BrNO7
Exact Mass	559.120565 g/mol

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SpectraBase Spectrum ID	KFCZOYRrfZB
Name	9-{(2E)-3-[4-(allyloxy)phenyl]-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/C27H30NO7.BrH/c1-5-14-33-19-9-6-18(7-10-19)8-11-22(29)24-20-12-13-28(2,16-23(30)31-3)15-21(20)25(32-4)27-26(24)34-17-35-27;/h5-11H,1,12-17H2,2-4H3;1H/q+1;/p-1/b11-8+;
InChIKey	MCBMOLFORSOTPY-YGCVIUNWSA-M
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_5373
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: 122536; Labnumber: RRAZNC-254; VK_ID: VK-005376
Synonyms	9-{3-[4-(allyloxy)phenyl]-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