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3-(DIACETYL)-METHOXYBENZO-[9]-ISOTHIAZOLE-1,1-DIOXIDE
SpectraBase Compound ID 795SORWP7Kt
InChI InChI=1S/C20H17NO5S/c1-13(22)18(14(2)23)26-20-17(15-9-5-3-6-10-15)19(27(24,25)21-20)16-11-7-4-8-12-16/h3-12,18H,1-2H3
InChIKey LWFITGBFLOQDOW-UHFFFAOYSA-N
Mol Weight 383.42 g/mol
Molecular Formula C20H17NO5S
Exact Mass 383.082744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 50Et8Jv6sa8
Name 3-(DIACETYL)-METHOXYBENZO-[9]-ISOTHIAZOLE-1,1-DIOXIDE
Compound Number IVA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17NO5S
InChI InChI=1S/C20H17NO5S/c1-13(22)18(14(2)23)26-20-17(15-9-5-3-6-10-15)19(27(24,25)21-20)16-11-7-4-8-12-16/h3-12,18H,1-2H3
InChIKey LWFITGBFLOQDOW-UHFFFAOYSA-N
Literature Reference Author V.A.NIKOLAEV,J.SIELER,V.V.NIKOLAEV,L.L.RODINA,B.SCHULZE
Literature Reference Citation RUSS.J.ORG.CHEM.,37,1190(2001)
Literature Reference DOI 10.1023/A:1013117120223
Molecular Weight 383.419 g/mol
Solvent CDCl3
Source File Reference UWVN5625