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ethyl 4-({(2E)-6-[(3-chloroanilino)carbonyl]-3-methyl-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
SpectraBase Compound ID BiOKOtUeDEz
InChI InChI=1S/C21H20ClN3O4S/c1-3-29-20(28)13-7-9-15(10-8-13)24-21-25(2)18(26)12-17(30-21)19(27)23-16-6-4-5-14(22)11-16/h4-11,17H,3,12H2,1-2H3,(H,23,27)/b24-21+
InChIKey VBNCTIQQMQJBPW-DARPEHSRSA-N
Mol Weight 445.92 g/mol
Molecular Formula C21H20ClN3O4S
Exact Mass 445.086305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2jy6ZVx9tfw
Name ethyl 4-({(2E)-6-[(3-chloroanilino)carbonyl]-3-methyl-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
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/C21H20ClN3O4S/c1-3-29-20(28)13-7-9-15(10-8-13)24-21-25(2)18(26)12-17(30-21)19(27)23-16-6-4-5-14(22)11-16/h4-11,17H,3,12H2,1-2H3,(H,23,27)/b24-21+
InChIKey VBNCTIQQMQJBPW-DARPEHSRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2371
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: D02456; Labnumber: MPOL-14338; SBI_ID: SBI-002373
Synonyms ethyl 4-({6-[(3-chloroanilino)carbonyl]-3-methyl-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
Temperature 303 °C