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(2Z)-N-(4-chlorophenyl)-3-(3,4-dimethoxybenzyl)-2-[(4-methoxyphenyl)imino]-4-oxotetrahydro-2H-1,3-thiazine-6-carboxamide
SpectraBase Compound ID lGsWSdaLTI
InChI InChI=1S/C27H26ClN3O5S/c1-34-21-11-9-20(10-12-21)30-27-31(16-17-4-13-22(35-2)23(14-17)36-3)25(32)15-24(37-27)26(33)29-19-7-5-18(28)6-8-19/h4-14,24H,15-16H2,1-3H3,(H,29,33)/b30-27-
InChIKey HWABMCCOMSCKFF-IKPAITLHSA-N
Mol Weight 540.03 g/mol
Molecular Formula C27H26ClN3O5S
Exact Mass 539.12817 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BMufVYPVZec
Name (2Z)-N-(4-Chlorophenyl)-3-(3,4-dimethoxybenzyl)-2-[(4-methoxyphenyl)imino]-4-oxotetrahydro-2H-1,3-thiazine-6-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.128169818 u
Formula C27H26ClN3O5S
InChI InChI=1S/C27H26ClN3O5S/c1-34-21-11-9-20(10-12-21)30-27-31(16-17-4-13-22(35-2)23(14-17)36-3)25(32)15-24(37-27)26(33)29-19-7-5-18(28)6-8-19/h4-14,24H,15-16H2,1-3H3,(H,29,33)/b30-27-
InChIKey HWABMCCOMSCKFF-IKPAITLHSA-N
Molecular Weight 540.034 g/mol
SMILES N(C(C1CC(N(\C(S1)=N\C1=CC=C(C=C1)OC)CC=1C=C(OC)C(=CC1)OC)=O)=O)C1=CC=C(C=C1)Cl