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methyl 4-[({(2Z)-3-benzyl-2-[(4-fluorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoate
SpectraBase Compound ID 8qeYtXO6TZS
InChI InChI=1S/C26H22FN3O4S/c1-34-25(33)18-7-11-20(12-8-18)28-24(32)22-15-23(31)30(16-17-5-3-2-4-6-17)26(35-22)29-21-13-9-19(27)10-14-21/h2-14,22H,15-16H2,1H3,(H,28,32)/b29-26-
InChIKey AFSMKZQADQAOOR-WCTVFOPTSA-N
Mol Weight 491.54 g/mol
Molecular Formula C26H22FN3O4S
Exact Mass 491.131506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KBZ9uQgp3V1
Name methyl 4-[({(2Z)-3-benzyl-2-[(4-fluorophenyl)imino]-4-oxotetrahydro-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/C26H22FN3O4S/c1-34-25(33)18-7-11-20(12-8-18)28-24(32)22-15-23(31)30(16-17-5-3-2-4-6-17)26(35-22)29-21-13-9-19(27)10-14-21/h2-14,22H,15-16H2,1H3,(H,28,32)/b29-26-
InChIKey AFSMKZQADQAOOR-WCTVFOPTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20482
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: D18659; Labnumber: MPOL-12631; SBI_ID: SBI-020486
Synonyms methyl 4-[({3-benzyl-2-[(4-fluorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoate
Temperature 318 °C