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4-[3-({(Z)-[(1,3-benzodioxol-5-ylmethyl)amino][(4-fluorophenyl)imino]methyl}sulfanyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid

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4-[3-({(Z)-[(1,3-benzodioxol-5-ylmethyl)amino][(4-fluorophenyl)imino]methyl}sulfanyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid
SpectraBase Compound ID xv4vBHydjb
InChI InChI=1S/C26H20FN3O6S/c27-17-4-6-18(7-5-17)29-26(28-13-15-1-10-20-21(11-15)36-14-35-20)37-22-12-23(31)30(24(22)32)19-8-2-16(3-9-19)25(33)34/h1-11,22H,12-14H2,(H,28,29)(H,33,34)
InChIKey ZRCYCSUOIULTQF-UHFFFAOYSA-N
Mol Weight 521.52 g/mol
Molecular Formula C26H20FN3O6S
Exact Mass 521.105685 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3MmuoF3yIES
Name 4-[3-({(Z)-[(1,3-benzodioxol-5-ylmethyl)amino][(4-fluorophenyl)imino]methyl}sulfanyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid
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/C26H20FN3O6S/c27-17-4-6-18(7-5-17)29-26(28-13-15-1-10-20-21(11-15)36-14-35-20)37-22-12-23(31)30(24(22)32)19-8-2-16(3-9-19)25(33)34/h1-11,22H,12-14H2,(H,28,29)(H,33,34)
InChIKey ZRCYCSUOIULTQF-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_484
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: ZI/8173300; Labnumber: PE-0005240
Temperature 297 °C