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4-[({(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
SpectraBase Compound ID 9ZzYwrtB86z
InChI InChI=1S/C28H26FN3O6S/c1-37-22-12-7-17(15-23(22)38-2)13-14-32-25(33)16-24(39-28(32)31-21-6-4-3-5-20(21)29)26(34)30-19-10-8-18(9-11-19)27(35)36/h3-12,15,24H,13-14,16H2,1-2H3,(H,30,34)(H,35,36)/b31-28-
InChIKey OJZLGXCLBLWFRF-PNOGMODKSA-N
Mol Weight 551.59 g/mol
Molecular Formula C28H26FN3O6S
Exact Mass 551.152635 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ArnVyr3ASnZ
Name 4-[({(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]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/C28H26FN3O6S/c1-37-22-12-7-17(15-23(22)38-2)13-14-32-25(33)16-24(39-28(32)31-21-6-4-3-5-20(21)29)26(34)30-19-10-8-18(9-11-19)27(35)36/h3-12,15,24H,13-14,16H2,1-2H3,(H,30,34)(H,35,36)/b31-28-
InChIKey OJZLGXCLBLWFRF-PNOGMODKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20516
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: D18707; Labnumber: MPOL-16075; SBI_ID: SBI-020520
Synonyms 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
Temperature 318 °C