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1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4,8-dihydro-4-(4-hydroxy-3-methoxyphenyl)-1-(6-methoxy-2-benzothiazolyl)-3-methyl-
SpectraBase Compound ID CwD2aDdZI8h
InChI InChI=1S/C22H20N4O4S2/c1-11-19-20(12-4-7-15(27)16(8-12)30-3)31-10-18(28)24-21(19)26(25-11)22-23-14-6-5-13(29-2)9-17(14)32-22/h4-9,20,27H,10H2,1-3H3,(H,24,28)
InChIKey UGEPBGMCRWDZQA-UHFFFAOYSA-N
Mol Weight 468.55 g/mol
Molecular Formula C22H20N4O4S2
Exact Mass 468.092597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FJCC19FFXNR
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4,8-dihydro-4-(4-hydroxy-3-methoxyphenyl)-1-(6-methoxy-2-benzothiazolyl)-3-methyl-
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/C22H20N4O4S2/c1-11-19-20(12-4-7-15(27)16(8-12)30-3)31-10-18(28)24-21(19)26(25-11)22-23-14-6-5-13(29-2)9-17(14)32-22/h4-9,20,27H,10H2,1-3H3,(H,24,28)
InChIKey UGEPBGMCRWDZQA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3603
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/17231324; Labnumber: DUD-7030122