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1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-[4-[(4-fluorophenyl)methoxy]phenyl]-4,8-dihydro-1-(6-methoxy-2-benzothiazolyl)-3-methyl-
SpectraBase Compound ID KnhaS2ReLFI
InChI InChI=1S/C28H23FN4O3S2/c1-16-25-26(18-5-9-20(10-6-18)36-14-17-3-7-19(29)8-4-17)37-15-24(34)31-27(25)33(32-16)28-30-22-12-11-21(35-2)13-23(22)38-28/h3-13,26H,14-15H2,1-2H3,(H,31,34)
InChIKey LQKASKPMRPKHQF-UHFFFAOYSA-N
Mol Weight 546.64 g/mol
Molecular Formula C28H23FN4O3S2
Exact Mass 546.119561 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3BgC2P5wNvR
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-[4-[(4-fluorophenyl)methoxy]phenyl]-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/C28H23FN4O3S2/c1-16-25-26(18-5-9-20(10-6-18)36-14-17-3-7-19(29)8-4-17)37-15-24(34)31-27(25)33(32-16)28-30-22-12-11-21(35-2)13-23(22)38-28/h3-13,26H,14-15H2,1-2H3,(H,31,34)
InChIKey LQKASKPMRPKHQF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3618
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/17231341; Labnumber: DUD-7030139