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2-[(2E,4E)-2-(3,4-DIMETHOXYPHENYL)-BENZO-[B]-[1,4]-THIAZEPIN-3-YL]-BENZOIC-ACID
SpectraBase Compound ID JxSWlZ8bb3t
InChI InChI=1S/C24H19NO4S/c1-28-20-12-11-15(13-21(20)29-2)23-18(16-7-3-4-8-17(16)24(26)27)14-25-19-9-5-6-10-22(19)30-23/h3-14H,1-2H3,(H,26,27)
InChIKey SVILXVMSTOYTMU-UHFFFAOYSA-N
Mol Weight 417.48 g/mol
Molecular Formula C24H19NO4S
Exact Mass 417.103479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2azoSyD8uZK
Name 2-[(2E,4E)-2-(3,4-DIMETHOXYPHENYL)-BENZO-[B]-[1,4]-THIAZEPIN-3-YL]-BENZOIC-ACID
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H19NO4S
InChI InChI=1S/C24H19NO4S/c1-28-20-12-11-15(13-21(20)29-2)23-18(16-7-3-4-8-17(16)24(26)27)14-25-19-9-5-6-10-22(19)30-23/h3-14H,1-2H3,(H,26,27)
InChIKey SVILXVMSTOYTMU-UHFFFAOYSA-N
Literature Reference Author M.R.MAHMOUD,M.M.EL-SHAHAWI,E.A.E.F.EL-BORDANY,F.S.M.A.EL-AZM
Literature Reference Citation EUR.J.CHEM.,1,134(2010)
Literature Reference DOI 10.5155/eurjchem.1.2.134-139.71
Molecular Weight 417.479 g/mol
Solvent CDCl3
Source File Reference UWLU83238