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ethyl 4-({(2Z)-6-[(3,5-dichloroanilino)carbonyl]-3-[2-(4-fluorophenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
SpectraBase Compound ID Kw6yvFNAC7D
InChI InChI=1S/C28H24Cl2FN3O4S/c1-2-38-27(37)18-5-9-22(10-6-18)33-28-34(12-11-17-3-7-21(31)8-4-17)25(35)16-24(39-28)26(36)32-23-14-19(29)13-20(30)15-23/h3-10,13-15,24H,2,11-12,16H2,1H3,(H,32,36)/b33-28-
InChIKey GDHWSDSTWJBGRM-MDVFONAFSA-N
Mol Weight 588.48 g/mol
Molecular Formula C28H24Cl2FN3O4S
Exact Mass 587.084861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5wgA8JoxP6R
Name ethyl 4-({(2Z)-6-[(3,5-dichloroanilino)carbonyl]-3-[2-(4-fluorophenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
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/C28H24Cl2FN3O4S/c1-2-38-27(37)18-5-9-22(10-6-18)33-28-34(12-11-17-3-7-21(31)8-4-17)25(35)16-24(39-28)26(36)32-23-14-19(29)13-20(30)15-23/h3-10,13-15,24H,2,11-12,16H2,1H3,(H,32,36)/b33-28-
InChIKey GDHWSDSTWJBGRM-MDVFONAFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1160
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: C94458; Labnumber: MPOL-16101; SBI_ID: SBI-001162
Synonyms ethyl 4-({6-[(3,5-dichloroanilino)carbonyl]-3-[2-(4-fluorophenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
Temperature 318 °C