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isothiazolo[4,5-b]pyridin-5(4H)-one, 7-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-3-phenyl-
SpectraBase Compound ID A9lNx1QXC6R
InChI InChI=1S/C21H18N2O5S/c1-25-14-8-12(18(26-2)20-19(14)27-10-28-20)13-9-15(24)22-17-16(23-29-21(13)17)11-6-4-3-5-7-11/h3-8,13H,9-10H2,1-2H3,(H,22,24)
InChIKey RJCHNYJPJIGELJ-UHFFFAOYSA-N
Mol Weight 410.44 g/mol
Molecular Formula C21H18N2O5S
Exact Mass 410.093643 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5UNpbkACWwd
Name isothiazolo[4,5-b]pyridin-5(4H)-one, 7-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-3-phenyl-
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/C21H18N2O5S/c1-25-14-8-12(18(26-2)20-19(14)27-10-28-20)13-9-15(24)22-17-16(23-29-21(13)17)11-6-4-3-5-7-11/h3-8,13H,9-10H2,1-2H3,(H,22,24)
InChIKey RJCHNYJPJIGELJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6002
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: NMR/18211092; Labnumber: DUD-802081