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benzoic acid, 4-[[[(2Z)-3-[2-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)imino]tetrahydro-4-oxo-2H-1,3-thiazin-6-yl]carbonyl]amino]-, methyl ester
SpectraBase Compound ID 6P1lKHWsVIu
InChI InChI=1S/C27H23F2N3O4S/c1-36-26(35)18-8-12-20(13-9-18)30-25(34)23-16-24(33)32(15-14-17-6-10-19(28)11-7-17)27(37-23)31-22-5-3-2-4-21(22)29/h2-13,23H,14-16H2,1H3,(H,30,34)/b31-27-
InChIKey HMINHYGSFAODIB-QVTSOHHYSA-N
Mol Weight 523.55 g/mol
Molecular Formula C27H23F2N3O4S
Exact Mass 523.137734 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Mp7RZQBAcw
Name benzoic acid, 4-[[[(2Z)-3-[2-(4-fluorophenyl)ethyl]-2-[(2-fluorophenyl)imino]tetrahydro-4-oxo-2H-1,3-thiazin-6-yl]carbonyl]amino]-, methyl ester
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/C27H23F2N3O4S/c1-36-26(35)18-8-12-20(13-9-18)30-25(34)23-16-24(33)32(15-14-17-6-10-19(28)11-7-17)27(37-23)31-22-5-3-2-4-21(22)29/h2-13,23H,14-16H2,1H3,(H,30,34)/b31-27-
InChIKey HMINHYGSFAODIB-QVTSOHHYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_3822
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: NMR/11321072; Labnumber: PE-0120170