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(3AS)-8,8-dimethyl-5,6-dihydro-3H,4H,7H-3a,6-methano-2,1-benzisothiazole-7-spiro-2'-1',3'-dithiane 2,2-dioxide
SpectraBase Compound ID 9uRBrDgAwW7
InChI InChI=1S/C13H19NO2S3/c1-11(2)9-4-5-12(11)8-19(15,16)14-10(12)13(9)17-6-3-7-18-13/h9H,3-8H2,1-2H3/t9-,12+/m1/s1
InChIKey USBHDLMYSKMYRZ-SKDRFNHKSA-N
Mol Weight 317.48 g/mol
Molecular Formula C13H19NO2S3
Exact Mass 317.057792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HflZ0wqWw8N
Name (3AS)-8,8-dimethyl-5,6-dihydro-3H,4H,7H-3a,6-methano-2,1-benzisothiazole-7-spiro-2'-1',3'-dithiane 2,2-dioxide
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Formula C13H19NO2S3
InChI InChI=1S/C13H19NO2S3/c1-11(2)9-4-5-12(11)8-19(15,16)14-10(12)13(9)17-6-3-7-18-13/h9H,3-8H2,1-2H3/t9-,12+/m1/s1
InChIKey USBHDLMYSKMYRZ-SKDRFNHKSA-N
Instrument Name Bruker AM-360
Literature Reference U. Verfuerth, R. Herrmann, J. Chem. Soc. Perkin I 2919 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3