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3-benzoyl-2-(cyanomethyl)-1,1-dioxido-2H-1,2-benzothiazin-4-yl pentanoate

View entire compound with spectra: 1 NMR

3-benzoyl-2-(cyanomethyl)-1,1-dioxido-2H-1,2-benzothiazin-4-yl pentanoate
SpectraBase Compound ID 1W7r7A5Btcp
InChI InChI=1S/C22H20N2O5S/c1-2-3-13-19(25)29-22-17-11-7-8-12-18(17)30(27,28)24(15-14-23)20(22)21(26)16-9-5-4-6-10-16/h4-12H,2-3,13,15H2,1H3
InChIKey KKOFUCMSYIUDLZ-UHFFFAOYSA-N
Mol Weight 424.47 g/mol
Molecular Formula C22H20N2O5S
Exact Mass 424.109293 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EpL6yF5ciNK
Name 3-benzoyl-2-(cyanomethyl)-1,1-dioxido-2H-1,2-benzothiazin-4-yl pentanoate
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/C22H20N2O5S/c1-2-3-13-19(25)29-22-17-11-7-8-12-18(17)30(27,28)24(15-14-23)20(22)21(26)16-9-5-4-6-10-16/h4-12H,2-3,13,15H2,1H3
InChIKey KKOFUCMSYIUDLZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_36192
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: F01510; SBI_ID: SBI-036196
Temperature 308 °C