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benzoic acid, 4-[[(2E)-6-[[(4-chlorophenyl)amino]carbonyl]tetrahydro-4-oxo-3-(2-propenyl)-2H-1,3-thiazin-2-ylidene]amino]-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

benzoic acid, 4-[[(2E)-6-[[(4-chlorophenyl)amino]carbonyl]tetrahydro-4-oxo-3-(2-propenyl)-2H-1,3-thiazin-2-ylidene]amino]-, ethyl ester
SpectraBase Compound ID 3XjMl2hD7iv
InChI InChI=1S/C23H22ClN3O4S/c1-3-13-27-20(28)14-19(21(29)25-17-11-7-16(24)8-12-17)32-23(27)26-18-9-5-15(6-10-18)22(30)31-4-2/h3,5-12,19H,1,4,13-14H2,2H3,(H,25,29)/b26-23+
InChIKey XYCNEPNLGVTPHA-WNAAXNPUSA-N
Mol Weight 471.96 g/mol
Molecular Formula C23H22ClN3O4S
Exact Mass 471.101955 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GSiFXGHMcn5
Name benzoic acid, 4-[[(2E)-6-[[(4-chlorophenyl)amino]carbonyl]tetrahydro-4-oxo-3-(2-propenyl)-2H-1,3-thiazin-2-ylidene]amino]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.101955070 u
Formula C23H22ClN3O4S
InChI InChI=1S/C23H22ClN3O4S/c1-3-13-27-20(28)14-19(21(29)25-17-11-7-16(24)8-12-17)32-23(27)26-18-9-5-15(6-10-18)22(30)31-4-2/h3,5-12,19H,1,4,13-14H2,2H3,(H,25,29)/b26-23+
InChIKey XYCNEPNLGVTPHA-WNAAXNPUSA-N
Molecular Weight 471.959 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6664
Solvent DMSO-d6
Source Vendor ID: NMR/10220238; Lab Info: PE; Lab Number: PE-0790207