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benzoic acid, 4-[[[(2Z)-3-ethyl-2-[(4-fluorophenyl)imino]tetrahydro-4-oxo-2H-1,3-thiazin-6-yl]carbonyl]amino]-, ethyl ester
SpectraBase Compound ID DemW1ZEyJvn
InChI InChI=1S/C22H22FN3O4S/c1-3-26-19(27)13-18(31-22(26)25-17-11-7-15(23)8-12-17)20(28)24-16-9-5-14(6-10-16)21(29)30-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,24,28)/b25-22-
InChIKey IVMXBQKNKVJUHD-LVWGJNHUSA-N
Mol Weight 443.49 g/mol
Molecular Formula C22H22FN3O4S
Exact Mass 443.131506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gwe7CylYA52
Name benzoic acid, 4-[[[(2Z)-3-ethyl-2-[(4-fluorophenyl)imino]tetrahydro-4-oxo-2H-1,3-thiazin-6-yl]carbonyl]amino]-, ethyl 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/C22H22FN3O4S/c1-3-26-19(27)13-18(31-22(26)25-17-11-7-15(23)8-12-17)20(28)24-16-9-5-14(6-10-16)21(29)30-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,24,28)/b25-22-
InChIKey IVMXBQKNKVJUHD-LVWGJNHUSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_3142
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/11278769