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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

View entire compound with spectra: 1 NMR

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
SpectraBase Compound ID KypwFn6UvzF
InChI InChI=1S/C23H25NO6/c1-24-8-7-15-10-20-22(30-13-29-20)23(26-2)21(15)17(24)11-16(25)5-3-14-4-6-18-19(9-14)28-12-27-18/h4,6,9-10,17H,3,5,7-8,11-13H2,1-2H3
InChIKey NFMATBVNUCRACD-UHFFFAOYSA-N
Mol Weight 411.45 g/mol
Molecular Formula C23H25NO6
Exact Mass 411.168188 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HowFiEwdSbT
Name 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
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/C23H25NO6/c1-24-8-7-15-10-20-22(30-13-29-20)23(26-2)21(15)17(24)11-16(25)5-3-14-4-6-18-19(9-14)28-12-27-18/h4,6,9-10,17H,3,5,7-8,11-13H2,1-2H3
InChIKey NFMATBVNUCRACD-UHFFFAOYSA-N
NMR Offset 15.3512
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10708
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 134567; Labnumber: COTVIR-1-1195; VK_ID: VK-010712
Temperature 318 °C