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1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4,8-dihydro-1-(6-methoxy-2-benzothiazolyl)-4-(4-methoxyphenyl)-3-methyl-
SpectraBase Compound ID 3cSiFIDVHd7
InChI InChI=1S/C22H20N4O3S2/c1-12-19-20(13-4-6-14(28-2)7-5-13)30-11-18(27)24-21(19)26(25-12)22-23-16-9-8-15(29-3)10-17(16)31-22/h4-10,20H,11H2,1-3H3,(H,24,27)
InChIKey KNFDYRPZGXELPJ-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 IcMvyyr4Qfr
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4,8-dihydro-1-(6-methoxy-2-benzothiazolyl)-4-(4-methoxyphenyl)-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/C22H20N4O3S2/c1-12-19-20(13-4-6-14(28-2)7-5-13)30-11-18(27)24-21(19)26(25-12)22-23-16-9-8-15(29-3)10-17(16)31-22/h4-10,20H,11H2,1-3H3,(H,24,27)
InChIKey KNFDYRPZGXELPJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3606
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/17231327; Labnumber: DUD-7030125