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ethyl 4-({(2Z)-6-[(4-bromoanilino)carbonyl]-3-[2-(4-methoxyphenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
SpectraBase Compound ID BaXNX3h2CxK
InChI InChI=1S/C29H28BrN3O5S/c1-3-38-28(36)20-6-10-23(11-7-20)32-29-33(17-16-19-4-14-24(37-2)15-5-19)26(34)18-25(39-29)27(35)31-22-12-8-21(30)9-13-22/h4-15,25H,3,16-18H2,1-2H3,(H,31,35)/b32-29-
InChIKey DFKQYWDRTNSGCL-OVXWJCGASA-N
Mol Weight 610.52 g/mol
Molecular Formula C29H28BrN3O5S
Exact Mass 609.093305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FVDXJctddT8
Name ethyl 4-({(2Z)-6-[(4-bromoanilino)carbonyl]-3-[2-(4-methoxyphenyl)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/C29H28BrN3O5S/c1-3-38-28(36)20-6-10-23(11-7-20)32-29-33(17-16-19-4-14-24(37-2)15-5-19)26(34)18-25(39-29)27(35)31-22-12-8-21(30)9-13-22/h4-15,25H,3,16-18H2,1-2H3,(H,31,35)/b32-29-
InChIKey DFKQYWDRTNSGCL-OVXWJCGASA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20489
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: D18666; Labnumber: MPOL-13151; SBI_ID: SBI-020493
Synonyms ethyl 4-({6-[(4-bromoanilino)carbonyl]-3-[2-(4-methoxyphenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
Temperature 318 °C