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1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(1,3-benzodioxol-5-yl)-4,8-dihydro-3-methyl-1-(6-methyl-2-benzothiazolyl)-
SpectraBase Compound ID FpW9gQDWLo3
InChI InChI=1S/C22H18N4O3S2/c1-11-3-5-14-17(7-11)31-22(23-14)26-21-19(12(2)25-26)20(30-9-18(27)24-21)13-4-6-15-16(8-13)29-10-28-15/h3-8,20H,9-10H2,1-2H3,(H,24,27)
InChIKey HGCAZSXPCNZOEZ-UHFFFAOYSA-N
Mol Weight 450.53 g/mol
Molecular Formula C22H18N4O3S2
Exact Mass 450.082033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gt8aygOcV8T
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(1,3-benzodioxol-5-yl)-4,8-dihydro-3-methyl-1-(6-methyl-2-benzothiazolyl)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H18N4O3S2/c1-11-3-5-14-17(7-11)31-22(23-14)26-21-19(12(2)25-26)20(30-9-18(27)24-21)13-4-6-15-16(8-13)29-10-28-15/h3-8,20H,9-10H2,1-2H3,(H,24,27)
InChIKey HGCAZSXPCNZOEZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3621
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/17231344; Labnumber: DUD-7030142