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1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(1,3-benzodioxol-5-yl)-4,8-dihydro-1-(6-methoxy-2-benzothiazolyl)-3-methyl-
SpectraBase Compound ID GhgyandJl5h
InChI InChI=1S/C22H18N4O4S2/c1-11-19-20(12-3-6-15-16(7-12)30-10-29-15)31-9-18(27)24-21(19)26(25-11)22-23-14-5-4-13(28-2)8-17(14)32-22/h3-8,20H,9-10H2,1-2H3,(H,24,27)
InChIKey LUELBQYNMNYNEP-UHFFFAOYSA-N
Mol Weight 466.53 g/mol
Molecular Formula C22H18N4O4S2
Exact Mass 466.076947 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J9rkFL3AbR9
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(1,3-benzodioxol-5-yl)-4,8-dihydro-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/C22H18N4O4S2/c1-11-19-20(12-3-6-15-16(7-12)30-10-29-15)31-9-18(27)24-21(19)26(25-11)22-23-14-5-4-13(28-2)8-17(14)32-22/h3-8,20H,9-10H2,1-2H3,(H,24,27)
InChIKey LUELBQYNMNYNEP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3599
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/17231320; Labnumber: DUD-7030118