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ethyl 4-({(2Z)-3-(4-chlorobenzyl)-6-[(4-ethoxyanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
SpectraBase Compound ID ArVLd0Z6LdD
InChI InChI=1S/C29H28ClN3O5S/c1-3-37-24-15-13-22(14-16-24)31-27(35)25-17-26(34)33(18-19-5-9-21(30)10-6-19)29(39-25)32-23-11-7-20(8-12-23)28(36)38-4-2/h5-16,25H,3-4,17-18H2,1-2H3,(H,31,35)/b32-29-
InChIKey KNXSZHYSUDQKBO-OVXWJCGASA-N
Mol Weight 566.07 g/mol
Molecular Formula C29H28ClN3O5S
Exact Mass 565.14382 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BPqJ6G6HyZw
Name ethyl 4-({(2Z)-3-(4-chlorobenzyl)-6-[(4-ethoxyanilino)carbonyl]-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/C29H28ClN3O5S/c1-3-37-24-15-13-22(14-16-24)31-27(35)25-17-26(34)33(18-19-5-9-21(30)10-6-19)29(39-25)32-23-11-7-20(8-12-23)28(36)38-4-2/h5-16,25H,3-4,17-18H2,1-2H3,(H,31,35)/b32-29-
InChIKey KNXSZHYSUDQKBO-OVXWJCGASA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2348
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: D02431; Labnumber: MPOL-13239; SBI_ID: SBI-002350
Synonyms ethyl 4-({3-(4-chlorobenzyl)-6-[(4-ethoxyanilino)carbonyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
Temperature 318 °C