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1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4,8-dihydro-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(6-methyl-2-benzothiazolyl)-
SpectraBase Compound ID 43gOQyhPhnv
InChI InChI=1S/C22H20N4O3S2/c1-11-4-6-14-17(8-11)31-22(23-14)26-21-19(12(2)25-26)20(30-10-18(28)24-21)13-5-7-16(29-3)15(27)9-13/h4-9,20,27H,10H2,1-3H3,(H,24,28)
InChIKey GMANDLATLASXNN-UHFFFAOYSA-N
Mol Weight 452.55 g/mol
Molecular Formula C22H20N4O3S2
Exact Mass 452.097683 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9V6OdcXa3RT
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4,8-dihydro-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(6-methyl-2-benzothiazolyl)-
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/C22H20N4O3S2/c1-11-4-6-14-17(8-11)31-22(23-14)26-21-19(12(2)25-26)20(30-10-18(28)24-21)13-5-7-16(29-3)15(27)9-13/h4-9,20,27H,10H2,1-3H3,(H,24,28)
InChIKey GMANDLATLASXNN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3622
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/17231345; Labnumber: DUD-7030143