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4-[({(2Z)-3-benzyl-2-[(4-chlorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
SpectraBase Compound ID EGAbcJqNn0i
InChI InChI=1S/C25H20ClN3O4S/c26-18-8-12-20(13-9-18)28-25-29(15-16-4-2-1-3-5-16)22(30)14-21(34-25)23(31)27-19-10-6-17(7-11-19)24(32)33/h1-13,21H,14-15H2,(H,27,31)(H,32,33)/b28-25-
InChIKey TWQUPFJDEWSWDO-FVDSYPCUSA-N
Mol Weight 493.97 g/mol
Molecular Formula C25H20ClN3O4S
Exact Mass 493.086305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6sNuvgXCVzW
Name 4-[({(2Z)-3-benzyl-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/C25H20ClN3O4S/c26-18-8-12-20(13-9-18)28-25-29(15-16-4-2-1-3-5-16)22(30)14-21(34-25)23(31)27-19-10-6-17(7-11-19)24(32)33/h1-13,21H,14-15H2,(H,27,31)(H,32,33)/b28-25-
InChIKey TWQUPFJDEWSWDO-FVDSYPCUSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18807
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: D11722; Labnumber: MPOL-13453; SBI_ID: SBI-018810
Synonyms 4-[({3-benzyl-2-[(4-chlorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
Temperature 306 °C