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1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4,8-dihydro-1-(6-methoxy-2-benzothiazolyl)-3-methyl-4-phenyl-
SpectraBase Compound ID IxSpVhuy03u
InChI InChI=1S/C21H18N4O2S2/c1-12-18-19(13-6-4-3-5-7-13)28-11-17(26)23-20(18)25(24-12)21-22-15-9-8-14(27-2)10-16(15)29-21/h3-10,19H,11H2,1-2H3,(H,23,26)
InChIKey YHUBHIDBPRCPAX-UHFFFAOYSA-N
Mol Weight 422.52 g/mol
Molecular Formula C21H18N4O2S2
Exact Mass 422.087118 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JleaaZ1tL8I
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4,8-dihydro-1-(6-methoxy-2-benzothiazolyl)-3-methyl-4-phenyl-
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/C21H18N4O2S2/c1-12-18-19(13-6-4-3-5-7-13)28-11-17(26)23-20(18)25(24-12)21-22-15-9-8-14(27-2)10-16(15)29-21/h3-10,19H,11H2,1-2H3,(H,23,26)
InChIKey YHUBHIDBPRCPAX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3598
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/17231319; Labnumber: DUD-7030117