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4-{[((2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxotetrahydro-2H-1,3-thiazin-6-yl)carbonyl]amino}benzoic acid
SpectraBase Compound ID 2TIubJQd57w
InChI InChI=1S/C28H24ClN3O6S/c1-2-38-27(37)19-7-13-22(14-8-19)31-28-32(16-17-3-9-20(29)10-4-17)24(33)15-23(39-28)25(34)30-21-11-5-18(6-12-21)26(35)36/h3-14,23H,2,15-16H2,1H3,(H,30,34)(H,35,36)/b31-28-
InChIKey ZVZSFLKQRWJLFX-PNOGMODKSA-N
Mol Weight 566.03 g/mol
Molecular Formula C28H24ClN3O6S
Exact Mass 565.107434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BpWSrMvpVTL
Name 4-{[((2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]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/C28H24ClN3O6S/c1-2-38-27(37)19-7-13-22(14-8-19)31-28-32(16-17-3-9-20(29)10-4-17)24(33)15-23(39-28)25(34)30-21-11-5-18(6-12-21)26(35)36/h3-14,23H,2,15-16H2,1H3,(H,30,34)(H,35,36)/b31-28-
InChIKey ZVZSFLKQRWJLFX-PNOGMODKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2346
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: D02429; Labnumber: MPOL-13229; SBI_ID: SBI-002348
Synonyms 4-{[(3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxotetrahydro-2H-1,3-thiazin-6-yl)carbonyl]amino}benzoic acid
Temperature 318 °C