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4-{[((2Z)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxotetrahydro-2H-1,3-thiazin-6-yl)carbonyl]amino}benzoic acid
SpectraBase Compound ID K9nNXF6BYCl
InChI InChI=1S/C22H21N3O6S/c1-3-25-18(26)12-17(19(27)23-15-8-4-13(5-9-15)20(28)29)32-22(25)24-16-10-6-14(7-11-16)21(30)31-2/h4-11,17H,3,12H2,1-2H3,(H,23,27)(H,28,29)/b24-22-
InChIKey LSXJINKXJBBNRC-GYHWCHFESA-N
Mol Weight 455.49 g/mol
Molecular Formula C22H21N3O6S
Exact Mass 455.115107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ho1zkeRuk2u
Name 4-{[((2Z)-3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-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/C22H21N3O6S/c1-3-25-18(26)12-17(19(27)23-15-8-4-13(5-9-15)20(28)29)32-22(25)24-16-10-6-14(7-11-16)21(30)31-2/h4-11,17H,3,12H2,1-2H3,(H,23,27)(H,28,29)/b24-22-
InChIKey LSXJINKXJBBNRC-GYHWCHFESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18908
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: D11863; Labnumber: MPOL-16154; SBI_ID: SBI-018911
Synonyms 4-{[(3-ethyl-2-{[4-(methoxycarbonyl)phenyl]imino}-4-oxotetrahydro-2H-1,3-thiazin-6-yl)carbonyl]amino}benzoic acid
Temperature 308 °C