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1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-(2-benzothiazolyl)-4-[4-[(4-fluorophenyl)methoxy]phenyl]-4,8-dihydro-3-methyl-

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1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-(2-benzothiazolyl)-4-[4-[(4-fluorophenyl)methoxy]phenyl]-4,8-dihydro-3-methyl-
SpectraBase Compound ID 2plMsAupBsz
InChI InChI=1S/C27H21FN4O2S2/c1-16-24-25(18-8-12-20(13-9-18)34-14-17-6-10-19(28)11-7-17)35-15-23(33)30-26(24)32(31-16)27-29-21-4-2-3-5-22(21)36-27/h2-13,25H,14-15H2,1H3,(H,30,33)
InChIKey SLYUAGKICMNJDV-UHFFFAOYSA-N
Mol Weight 516.61 g/mol
Molecular Formula C27H21FN4O2S2
Exact Mass 516.108996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ICd2Md6UkUn
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 1-(2-benzothiazolyl)-4-[4-[(4-fluorophenyl)methoxy]phenyl]-4,8-dihydro-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/C27H21FN4O2S2/c1-16-24-25(18-8-12-20(13-9-18)34-14-17-6-10-19(28)11-7-17)35-15-23(33)30-26(24)32(31-16)27-29-21-4-2-3-5-22(21)36-27/h2-13,25H,14-15H2,1H3,(H,30,33)
InChIKey SLYUAGKICMNJDV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3611
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/17231334; Labnumber: DUD-7030132