For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-[(3E)-4-(4-ethoxyphenyl)-2-oxo-3-butenyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide

Compound with spectra: 1 NMR

5-[(3E)-4-(4-ethoxyphenyl)-2-oxo-3-butenyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
SpectraBase Compound ID Ccf7hAFPh8O
InChI InChI=1S/C25H30NO5.HI/c1-5-29-20-10-7-17(8-11-20)6-9-19(27)15-21-23-18(12-13-26(21,2)3)14-22-24(25(23)28-4)31-16-30-22;/h6-11,14,21H,5,12-13,15-16H2,1-4H3;1H/q+1;/p-1/b9-6+;
InChIKey CIWAFXHZCWMNCQ-MLBSPLJJSA-M
Mol Weight 551.42 g/mol
Molecular Formula C25H30INO5
Exact Mass 551.116868 g/mol
Parent InChIKey KVABLDHEQSMFLE-RMKNXTFCSA-M

View Spectrum of 5-[(3E)-4-(4-ethoxyphenyl)-2-oxo-3-butenyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide

1H NMR Spectrum
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
Solvent DMSO-d6
  • 5-[4-(4-ethoxyphenyl)-2-oxo-3-butenyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
5-[2-(4-ethylphenyl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
(3E,5Z)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-8-(2,6,6-trimethyl-1-cyclohexenyl)-2-octa-3,5-dienone
3-Buten-2-one, 1-(5,6,7,8-tetrahydro-4-methoxy-6-methyl[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(2,6,6-trimethyl-1-cyclohexenyl)-
1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(2,6,6-trimethyl-cyclohex-2-enyl)-but-3-en-2-one oxime
2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-(4-nitrophenyl)ethanone
1-(4-Methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-oxidanyl-4-pyridin-2-yl-butan-2-one
3-[2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-oxoethyl]-2-oxolanone
4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-butanone
4-(1,3-benzodioxol-5-yl)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-butanol
1-(4-Methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-(2-methoxyphenyl)-2-propanol
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.