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4-[({(2Z)-3-(4-chlorobenzyl)-2-[(4-chlorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
SpectraBase Compound ID 5J5Iqi1zpUh
InChI InChI=1S/C25H19Cl2N3O4S/c26-17-5-1-15(2-6-17)14-30-22(31)13-21(35-25(30)29-20-11-7-18(27)8-12-20)23(32)28-19-9-3-16(4-10-19)24(33)34/h1-12,21H,13-14H2,(H,28,32)(H,33,34)/b29-25-
InChIKey WCVLSQACDFVQEW-GNVQSUKOSA-N
Mol Weight 528.41 g/mol
Molecular Formula C25H19Cl2N3O4S
Exact Mass 527.047333 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DIRS8XQ4Rny
Name 4-[({(2Z)-3-(4-chlorobenzyl)-2-[(4-chlorophenyl)imino]-4-oxotetrahydro-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/C25H19Cl2N3O4S/c26-17-5-1-15(2-6-17)14-30-22(31)13-21(35-25(30)29-20-11-7-18(27)8-12-20)23(32)28-19-9-3-16(4-10-19)24(33)34/h1-12,21H,13-14H2,(H,28,32)(H,33,34)/b29-25-
InChIKey WCVLSQACDFVQEW-GNVQSUKOSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18803
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: D11718; Labnumber: MPOL-12893; SBI_ID: SBI-018806
Synonyms 4-[({3-(4-chlorobenzyl)-2-[(4-chlorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
Temperature 306 °C