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1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-fluorophenyl)-4,8-dihydro-1-(6-methoxy-2-benzothiazolyl)-3-methyl-
SpectraBase Compound ID LuR7dwiDp4v
InChI InChI=1S/C21H17FN4O2S2/c1-11-18-19(12-3-5-13(22)6-4-12)29-10-17(27)24-20(18)26(25-11)21-23-15-8-7-14(28-2)9-16(15)30-21/h3-9,19H,10H2,1-2H3,(H,24,27)
InChIKey XXAILAULFVTLFC-UHFFFAOYSA-N
Mol Weight 440.51 g/mol
Molecular Formula C21H17FN4O2S2
Exact Mass 440.077696 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EcFsVrw7aiY
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(4-fluorophenyl)-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/C21H17FN4O2S2/c1-11-18-19(12-3-5-13(22)6-4-12)29-10-17(27)24-20(18)26(25-11)21-23-15-8-7-14(28-2)9-16(15)30-21/h3-9,19H,10H2,1-2H3,(H,24,27)
InChIKey XXAILAULFVTLFC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3609
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/17231332; Labnumber: DUD-7030130