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4-[({(2Z)-3-(4-fluorobenzyl)-2-[(4-methoxyphenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
SpectraBase Compound ID 4F0JRppdHef
InChI InChI=1S/C26H22FN3O5S/c1-35-21-12-10-20(11-13-21)29-26-30(15-16-2-6-18(27)7-3-16)23(31)14-22(36-26)24(32)28-19-8-4-17(5-9-19)25(33)34/h2-13,22H,14-15H2,1H3,(H,28,32)(H,33,34)/b29-26-
InChIKey UMJYTQAFYQLMLK-WCTVFOPTSA-N
Mol Weight 507.54 g/mol
Molecular Formula C26H22FN3O5S
Exact Mass 507.12642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BgkXcpn2fG6
Name 4-[({(2Z)-3-(4-fluorobenzyl)-2-[(4-methoxyphenyl)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/C26H22FN3O5S/c1-35-21-12-10-20(11-13-21)29-26-30(15-16-2-6-18(27)7-3-16)23(31)14-22(36-26)24(32)28-19-8-4-17(5-9-19)25(33)34/h2-13,22H,14-15H2,1H3,(H,28,32)(H,33,34)/b29-26-
InChIKey UMJYTQAFYQLMLK-WCTVFOPTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2324
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: D02406; Labnumber: MPOL-12417; SBI_ID: SBI-002326
Synonyms 4-[({3-(4-fluorobenzyl)-2-[(4-methoxyphenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
Temperature 318 °C