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4-[3-({(Z)-{4-[chloro(difluoro)methoxy]anilino}[(Z)-methylimino]methyl}sulfanyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid acetate
SpectraBase Compound ID IF7FUKM7zfK
InChI InChI=1S/C20H16ClF2N3O5S.C2H4O2/c1-24-19(25-12-4-8-14(9-5-12)31-20(21,22)23)32-15-10-16(27)26(17(15)28)13-6-2-11(3-7-13)18(29)30;1-2(3)4/h2-9,15H,10H2,1H3,(H,24,25)(H,29,30);1H3,(H,3,4)
InChIKey IAJOVCDVFXEOQY-UHFFFAOYSA-N
Mol Weight 543.93 g/mol
Molecular Formula C22H20ClF2N3O7S
Exact Mass 543.067855 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID rzA7aC3aA9
Name 4-[3-({(Z)-{4-[chloro(difluoro)methoxy]anilino}[(Z)-methylimino]methyl}sulfanyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid acetate
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/C20H16ClF2N3O5S.C2H4O2/c1-24-19(25-12-4-8-14(9-5-12)31-20(21,22)23)32-15-10-16(27)26(17(15)28)13-6-2-11(3-7-13)18(29)30;1-2(3)4/h2-9,15H,10H2,1H3,(H,24,25)(H,29,30);1H3,(H,3,4)
InChIKey IAJOVCDVFXEOQY-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_2127
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/9296321; Labnumber: PE/9044570