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3-[({(2Z)-2-[(4-fluorophenyl)imino]-3-methyl-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
SpectraBase Compound ID 9o4eo4nWj5p
InChI InChI=1S/C19H16FN3O4S/c1-23-16(24)10-15(28-19(23)22-13-7-5-12(20)6-8-13)17(25)21-14-4-2-3-11(9-14)18(26)27/h2-9,15H,10H2,1H3,(H,21,25)(H,26,27)/b22-19-
InChIKey ROZUHIINDSYSIL-QOCHGBHMSA-N
Mol Weight 401.41 g/mol
Molecular Formula C19H16FN3O4S
Exact Mass 401.084555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5g2PMRV3f1R
Name 3-[({(2Z)-2-[(4-fluorophenyl)imino]-3-methyl-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/C19H16FN3O4S/c1-23-16(24)10-15(28-19(23)22-13-7-5-12(20)6-8-13)17(25)21-14-4-2-3-11(9-14)18(26)27/h2-9,15H,10H2,1H3,(H,21,25)(H,26,27)/b22-19-
InChIKey ROZUHIINDSYSIL-QOCHGBHMSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18910
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: D11865; Labnumber: MPOL-16163; SBI_ID: SBI-018913
Synonyms 3-[({2-[(4-fluorophenyl)imino]-3-methyl-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
Temperature 308 °C