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isothiazolo[4,5-b]pyridin-5(4H)-one, 7-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-6,7-dihydro-
SpectraBase Compound ID 1WCzZapdKGs
InChI InChI=1S/C21H17FN2O5S/c1-26-14-7-12(18(27-2)20-19(14)28-9-29-20)13-8-15(25)23-17-16(24-30-21(13)17)10-3-5-11(22)6-4-10/h3-7,13H,8-9H2,1-2H3,(H,23,25)
InChIKey DJQORGBVQGHHDU-UHFFFAOYSA-N
Mol Weight 428.43 g/mol
Molecular Formula C21H17FN2O5S
Exact Mass 428.084221 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GS4C0XjL1Hb
Name isothiazolo[4,5-b]pyridin-5(4H)-one, 7-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-6,7-dihydro-
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/C21H17FN2O5S/c1-26-14-7-12(18(27-2)20-19(14)28-9-29-20)13-8-15(25)23-17-16(24-30-21(13)17)10-3-5-11(22)6-4-10/h3-7,13H,8-9H2,1-2H3,(H,23,25)
InChIKey DJQORGBVQGHHDU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6003
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/18211095; Labnumber: DUD-802087