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4-(1,3-Benzodioxol-5-yl)-1,3-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
SpectraBase Compound ID B4fdRxbgy7a
InChI InChI=1S/C25H19N3O3S/c29-21-14-32-24(17-11-12-19-20(13-17)31-15-30-19)22-23(16-7-3-1-4-8-16)27-28(25(22)26-21)18-9-5-2-6-10-18/h1-13,24H,14-15H2,(H,26,29)
InChIKey MLEOHXUMJITUDX-UHFFFAOYSA-N
Mol Weight 441.51 g/mol
Molecular Formula C25H19N3O3S
Exact Mass 441.114713 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DQpOuLPF7GS
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4-(1,3-benzodioxol-5-yl)-4,8-dihydro-1,3-diphenyl-
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/C25H19N3O3S/c29-21-14-32-24(17-11-12-19-20(13-17)31-15-30-19)22-23(16-7-3-1-4-8-16)27-28(25(22)26-21)18-9-5-2-6-10-18/h1-13,24H,14-15H2,(H,26,29)
InChIKey MLEOHXUMJITUDX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_7668
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/12238873