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benzoic acid, 4-[3-[[(E)-[(4-fluorophenyl)imino][[2-(4-methoxyphenyl)ethyl]amino]methyl]thio]-2,5-dioxo-1-pyrrolidinyl]-, methyl ester

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benzoic acid, 4-[3-[[(E)-[(4-fluorophenyl)imino][[2-(4-methoxyphenyl)ethyl]amino]methyl]thio]-2,5-dioxo-1-pyrrolidinyl]-, methyl ester
SpectraBase Compound ID KMkJTHDTAAn
InChI InChI=1S/C28H26FN3O5S/c1-36-23-13-3-18(4-14-23)15-16-30-28(31-21-9-7-20(29)8-10-21)38-24-17-25(33)32(26(24)34)22-11-5-19(6-12-22)27(35)37-2/h3-14,24H,15-17H2,1-2H3,(H,30,31)
InChIKey PETFLWFSJDDQEA-UHFFFAOYSA-N
Mol Weight 535.59 g/mol
Molecular Formula C28H26FN3O5S
Exact Mass 535.15772 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kqs57yw3ESl
Name benzoic acid, 4-[3-[[(E)-[(4-fluorophenyl)imino][[2-(4-methoxyphenyl)ethyl]amino]methyl]thio]-2,5-dioxo-1-pyrrolidinyl]-, methyl ester
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/C28H26FN3O5S/c1-36-23-13-3-18(4-14-23)15-16-30-28(31-21-9-7-20(29)8-10-21)38-24-17-25(33)32(26(24)34)22-11-5-19(6-12-22)27(35)37-2/h3-14,24H,15-17H2,1-2H3,(H,30,31)
InChIKey PETFLWFSJDDQEA-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_2390
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/9251683; Labnumber: L-04,Polunin
Temperature 297 °C