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4-[({(2Z)-2-[(2-fluorophenyl)imino]-3-[2-(4-methoxyphenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
SpectraBase Compound ID 5bw19976RDm
InChI InChI=1S/C27H24FN3O5S/c1-36-20-12-6-17(7-13-20)14-15-31-24(32)16-23(37-27(31)30-22-5-3-2-4-21(22)28)25(33)29-19-10-8-18(9-11-19)26(34)35/h2-13,23H,14-16H2,1H3,(H,29,33)(H,34,35)/b30-27-
InChIKey KJYMWRPQACPXNA-IKPAITLHSA-N
Mol Weight 521.56 g/mol
Molecular Formula C27H24FN3O5S
Exact Mass 521.14207 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lw1zenrJ5IE
Name 4-[({(2Z)-2-[(2-fluorophenyl)imino]-3-[2-(4-methoxyphenyl)ethyl]-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/C27H24FN3O5S/c1-36-20-12-6-17(7-13-20)14-15-31-24(32)16-23(37-27(31)30-22-5-3-2-4-21(22)28)25(33)29-19-10-8-18(9-11-19)26(34)35/h2-13,23H,14-16H2,1H3,(H,29,33)(H,34,35)/b30-27-
InChIKey KJYMWRPQACPXNA-IKPAITLHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20515
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: D18705; Labnumber: MPOL-16073; SBI_ID: SBI-020519
Synonyms 4-[({2-[(2-fluorophenyl)imino]-3-[2-(4-methoxyphenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
Temperature 318 °C