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methyl 4-({[(2Z)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-(phenylimino)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoate
SpectraBase Compound ID 50EGLUciqtS
InChI InChI=1S/C27H24FN3O4S/c1-35-26(34)19-9-13-22(14-10-19)29-25(33)23-17-24(32)31(16-15-18-7-11-20(28)12-8-18)27(36-23)30-21-5-3-2-4-6-21/h2-14,23H,15-17H2,1H3,(H,29,33)/b30-27-
InChIKey DEZCRWLJGPAHQS-IKPAITLHSA-N
Mol Weight 505.56 g/mol
Molecular Formula C27H24FN3O4S
Exact Mass 505.147156 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ExCXbh8FNY
Name methyl 4-({[(2Z)-3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-(phenylimino)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoate
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/C27H24FN3O4S/c1-35-26(34)19-9-13-22(14-10-19)29-25(33)23-17-24(32)31(16-15-18-7-11-20(28)12-8-18)27(36-23)30-21-5-3-2-4-6-21/h2-14,23H,15-17H2,1H3,(H,29,33)/b30-27-
InChIKey DEZCRWLJGPAHQS-IKPAITLHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1158
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: C94456; Labnumber: MPOL-16094; SBI_ID: SBI-001160
Synonyms methyl 4-({[3-[2-(4-fluorophenyl)ethyl]-4-oxo-2-(phenylimino)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoate
Temperature 318 °C