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4-({[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-(phenylimino)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid
SpectraBase Compound ID 8BoEFGIU5WB
InChI InChI=1S/C27H25N3O5S/c1-35-22-13-7-18(8-14-22)15-16-30-24(31)17-23(36-27(30)29-20-5-3-2-4-6-20)25(32)28-21-11-9-19(10-12-21)26(33)34/h2-14,23H,15-17H2,1H3,(H,28,32)(H,33,34)/b29-27-
InChIKey XONYMNPYPUFZKJ-OHYPFYFLSA-N
Mol Weight 503.57 g/mol
Molecular Formula C27H25N3O5S
Exact Mass 503.151492 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5EpIgV4zKwy
Name 4-({[(2Z)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-(phenylimino)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/C27H25N3O5S/c1-35-22-13-7-18(8-14-22)15-16-30-24(31)17-23(36-27(30)29-20-5-3-2-4-6-20)25(32)28-21-11-9-19(10-12-21)26(33)34/h2-14,23H,15-17H2,1H3,(H,28,32)(H,33,34)/b29-27-
InChIKey XONYMNPYPUFZKJ-OHYPFYFLSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2314
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: D02394; Labnumber: MPOL-11801; SBI_ID: SBI-002316
Synonyms 4-({[3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-(phenylimino)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid
Temperature 318 °C