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1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4,8-dihydro-4-(4-methoxyphenyl)-
SpectraBase Compound ID Fgwtlc2MQgi
InChI InChI=1S/C13H13N3O2S/c1-18-9-4-2-8(3-5-9)12-10-6-14-16-13(10)15-11(17)7-19-12/h2-6,12H,7H2,1H3,(H2,14,15,16,17)
InChIKey DFQKFOSMFZBGFZ-UHFFFAOYSA-N
Mol Weight 275.33 g/mol
Molecular Formula C13H13N3O2S
Exact Mass 275.072848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5QPdvwmzgVz
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4,8-dihydro-4-(4-methoxyphenyl)-
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/C13H13N3O2S/c1-18-9-4-2-8(3-5-9)12-10-6-14-16-13(10)15-11(17)7-19-12/h2-6,12H,7H2,1H3,(H2,14,15,16,17)
InChIKey DFQKFOSMFZBGFZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3896
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/17231948; Labnumber: DUD-0000004