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4-({[(2Z)-2-[(2-fluorophenyl)imino]-3-(4-methoxybenzyl)-4-oxotetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid
SpectraBase Compound ID F4RFBvKpetW
InChI InChI=1S/C26H22FN3O5S/c1-35-19-12-6-16(7-13-19)15-30-23(31)14-22(36-26(30)29-21-5-3-2-4-20(21)27)24(32)28-18-10-8-17(9-11-18)25(33)34/h2-13,22H,14-15H2,1H3,(H,28,32)(H,33,34)/b29-26-
InChIKey VGMBUWWOKBOBMA-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 FrIoV3S4S9C
Name 4-({[(2Z)-2-[(2-fluorophenyl)imino]-3-(4-methoxybenzyl)-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/c1-35-19-12-6-16(7-13-19)15-30-23(31)14-22(36-26(30)29-21-5-3-2-4-20(21)27)24(32)28-18-10-8-17(9-11-18)25(33)34/h2-13,22H,14-15H2,1H3,(H,28,32)(H,33,34)/b29-26-
InChIKey VGMBUWWOKBOBMA-WCTVFOPTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20514
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: D18704; Labnumber: MPOL-16072; SBI_ID: SBI-020518
Synonyms 4-({[2-[(2-fluorophenyl)imino]-3-(4-methoxybenzyl)-4-oxotetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid
Temperature 318 °C