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3-[({(2Z)-2-[(4-ethoxyphenyl)imino]-3-ethyl-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
SpectraBase Compound ID Gng58RbbyCq
InChI InChI=1S/C22H23N3O5S/c1-3-25-19(26)13-18(20(27)23-16-7-5-6-14(12-16)21(28)29)31-22(25)24-15-8-10-17(11-9-15)30-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,23,27)(H,28,29)/b24-22-
InChIKey TWSJJDSJOYUELN-GYHWCHFESA-N
Mol Weight 441.5 g/mol
Molecular Formula C22H23N3O5S
Exact Mass 441.135842 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BO1BKa7SyVd
Name 3-[({(2Z)-2-[(4-ethoxyphenyl)imino]-3-ethyl-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/C22H23N3O5S/c1-3-25-19(26)13-18(20(27)23-16-7-5-6-14(12-16)21(28)29)31-22(25)24-15-8-10-17(11-9-15)30-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,23,27)(H,28,29)/b24-22-
InChIKey TWSJJDSJOYUELN-GYHWCHFESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18920
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: D11881; Labnumber: MPOL-16275; SBI_ID: SBI-018923
Synonyms 3-[({2-[(4-ethoxyphenyl)imino]-3-ethyl-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
Temperature 308 °C