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9-[(2E)-3-(4-ethoxy-3-methoxyphenyl)-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

View entire compound with spectra: 1 NMR

9-[(2E)-3-(4-ethoxy-3-methoxyphenyl)-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 3hrPivkrOcZ
InChI InChI=1S/C27H32NO8.BrH/c1-6-34-21-10-8-17(13-22(21)31-3)7-9-20(29)24-18-11-12-28(2,15-23(30)32-4)14-19(18)25(33-5)27-26(24)35-16-36-27;/h7-10,13H,6,11-12,14-16H2,1-5H3;1H/q+1;/p-1/b9-7+;
InChIKey AAYHHYYCXHQPFN-BXTVWIJMSA-M
Mol Weight 578.5 g/mol
Molecular Formula C27H32BrNO8
Exact Mass 577.13113 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E6fAXKiFb8I
Name 9-[(2E)-3-(4-ethoxy-3-methoxyphenyl)-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/C27H32NO8.BrH/c1-6-34-21-10-8-17(13-22(21)31-3)7-9-20(29)24-18-11-12-28(2,15-23(30)32-4)14-19(18)25(33-5)27-26(24)35-16-36-27;/h7-10,13H,6,11-12,14-16H2,1-5H3;1H/q+1;/p-1/b9-7+;
InChIKey AAYHHYYCXHQPFN-BXTVWIJMSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5372
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: 122535; Labnumber: RRAZNC-253; VK_ID: VK-005375
Synonyms 9-[3-(4-ethoxy-3-methoxyphenyl)-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