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4-({[(2Z)-2-[(4-methoxyphenyl)imino]-4-oxo-3-(2-thienylmethyl)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid
SpectraBase Compound ID 82gf0XfVU7
InChI InChI=1S/C24H21N3O5S2/c1-32-18-10-8-17(9-11-18)26-24-27(14-19-3-2-12-33-19)21(28)13-20(34-24)22(29)25-16-6-4-15(5-7-16)23(30)31/h2-12,20H,13-14H2,1H3,(H,25,29)(H,30,31)/b26-24-
InChIKey RAXUOSTYFQBQTR-LCUIJRPUSA-N
Mol Weight 495.57 g/mol
Molecular Formula C24H21N3O5S2
Exact Mass 495.092263 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hd0S9466Cun
Name 4-({[(2Z)-2-[(4-methoxyphenyl)imino]-4-oxo-3-(2-thienylmethyl)tetrahydro-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/C24H21N3O5S2/c1-32-18-10-8-17(9-11-18)26-24-27(14-19-3-2-12-33-19)21(28)13-20(34-24)22(29)25-16-6-4-15(5-7-16)23(30)31/h2-12,20H,13-14H2,1H3,(H,25,29)(H,30,31)/b26-24-
InChIKey RAXUOSTYFQBQTR-LCUIJRPUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2354
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: D02438; Labnumber: MPOL-14117; SBI_ID: SBI-002356
Synonyms 4-({[2-[(4-methoxyphenyl)imino]-4-oxo-3-(2-thienylmethyl)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid
Temperature 318 °C