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4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid
SpectraBase Compound ID 38HoZPHqKjT
InChI InChI=1S/C26H21Cl2N3O4S/c27-18-12-19(28)14-21(13-18)30-26-31(11-10-16-4-2-1-3-5-16)23(32)15-22(36-26)24(33)29-20-8-6-17(7-9-20)25(34)35/h1-9,12-14,22H,10-11,15H2,(H,29,33)(H,34,35)/b30-26-
InChIKey XOJJXGHGTVHFFA-BXVZCJGGSA-N
Mol Weight 542.44 g/mol
Molecular Formula C26H21Cl2N3O4S
Exact Mass 541.062983 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CZymadYvIxb
Name 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)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/C26H21Cl2N3O4S/c27-18-12-19(28)14-21(13-18)30-26-31(11-10-16-4-2-1-3-5-16)23(32)15-22(36-26)24(33)29-20-8-6-17(7-9-20)25(34)35/h1-9,12-14,22H,10-11,15H2,(H,29,33)(H,34,35)/b30-26-
InChIKey XOJJXGHGTVHFFA-BXVZCJGGSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18852
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: D11784; Labnumber: MPOL-15298; SBI_ID: SBI-018855
Synonyms 4-({[2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid
Temperature 306 °C