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2-METHYL-6-METHOXY-1,2-BENZOTHIAZIN-3-ONE-4-(3',5'-DI-TERT.-BUTYL-4'-HYDROXYBENZYLIDENE)-1,1-DIOXIDE
SpectraBase Compound ID KAiB6Ybuywk
InChI InChI=1S/C25H31NO5S/c1-24(2,3)19-12-15(13-20(22(19)27)25(4,5)6)11-18-17-14-16(31-8)9-10-21(17)32(29,30)26(7)23(18)28/h9-14,27H,1-8H3/b18-11-
InChIKey RZUIQTZZNXWRDA-WQRHYEAKSA-N
Mol Weight 457.59 g/mol
Molecular Formula C25H31NO5S
Exact Mass 457.192294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zZrralbWoK
Name 2-METHYL-6-METHOXY-1,2-BENZOTHIAZIN-3-ONE-4-(3',5'-DI-TERT.-BUTYL-4'-HYDROXYBENZYLIDENE)-1,1-DIOXIDE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31NO5S
InChI InChI=1S/C25H31NO5S/c1-24(2,3)19-12-15(13-20(22(19)27)25(4,5)6)11-18-17-14-16(31-8)9-10-21(17)32(29,30)26(7)23(18)28/h9-14,27H,1-8H3/b18-11-
InChIKey RZUIQTZZNXWRDA-WQRHYEAKSA-N
Literature Reference Author L.H.P.TEIXEIRA,C.A.M.FRAGA,E.J.BARREIRO
Literature Reference Citation J.BRAZ.CHEM.SOC.,9,119(1998)
Literature Reference DOI 10.1590/s0103-50531998000200003
Molecular Weight 457.585 g/mol
Solvent CDCl3
Source File Reference UWMS4149