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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-(4-methoxyphenyl)-
SpectraBase Compound ID GiSMAyBiUTs
InChI InChI=1S/C22H20N2O6S/c1-26-12-6-4-11(5-7-12)17-18-22(31-24-17)14(9-16(25)23-18)13-8-15(27-2)20-21(19(13)28-3)30-10-29-20/h4-8,14H,9-10H2,1-3H3,(H,23,25)
InChIKey BUQCGSMNSOCVAZ-UHFFFAOYSA-N
Mol Weight 440.47 g/mol
Molecular Formula C22H20N2O6S
Exact Mass 440.104208 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1rCFroXGhSt
Name isothiazolo[4,5-b]pyridin-5(4H)-one, 7-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-3-(4-methoxyphenyl)-
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/C22H20N2O6S/c1-26-12-6-4-11(5-7-12)17-18-22(31-24-17)14(9-16(25)23-18)13-8-15(27-2)20-21(19(13)28-3)30-10-29-20/h4-8,14H,9-10H2,1-3H3,(H,23,25)
InChIKey BUQCGSMNSOCVAZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6338
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/18211093; Labnumber: DUD-802082