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3-[({(2Z)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
SpectraBase Compound ID 6n3nvaSECUU
InChI InChI=1S/C21H21N3O4S/c1-12-7-8-16(9-13(12)2)23-21-24(3)18(25)11-17(29-21)19(26)22-15-6-4-5-14(10-15)20(27)28/h4-10,17H,11H2,1-3H3,(H,22,26)(H,27,28)/b23-21-
InChIKey FIANHFIJIWCTLN-LNVKXUELSA-N
Mol Weight 411.48 g/mol
Molecular Formula C21H21N3O4S
Exact Mass 411.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BiREPNMXjGU
Name 3-[({(2Z)-2-[(3,4-dimethylphenyl)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/C21H21N3O4S/c1-12-7-8-16(9-13(12)2)23-21-24(3)18(25)11-17(29-21)19(26)22-15-6-4-5-14(10-15)20(27)28/h4-10,17H,11H2,1-3H3,(H,22,26)(H,27,28)/b23-21-
InChIKey FIANHFIJIWCTLN-LNVKXUELSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18922
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: D11883; Labnumber: MPOL-16278; SBI_ID: SBI-018925
Synonyms 3-[({2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
Temperature 308 °C