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[(4A-S,8A-R)-8-BROMO-9,9-DIMETHYL-5,6,7,8-TETRAHYDRO-4H-4A,7-METHANOOXAZIRIDINE-[3,2-I]-[2,1]-BENZISOTHIAZOLE]-3,3-DIOXIDE

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[(4A-S,8A-R)-8-BROMO-9,9-DIMETHYL-5,6,7,8-TETRAHYDRO-4H-4A,7-METHANOOXAZIRIDINE-[3,2-I]-[2,1]-BENZISOTHIAZOLE]-3,3-DIOXIDE
SpectraBase Compound ID 8XdY7FXfh6C
InChI InChI=1S/C10H14BrNO3S/c1-8(2)6-3-4-9(8)5-16(13,14)12-10(9,15-12)7(6)11/h6-7H,3-5H2,1-2H3/t6-,7+,9-,10+,12?/m1/s1
InChIKey CECPSNLTUWYZDY-MDKBNZRMSA-N
Mol Weight 308.19 g/mol
Molecular Formula C10H14BrNO3S
Exact Mass 306.987777 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 19IztO192ro
Name [(4A-S,8A-R)-8-BROMO-9,9-DIMETHYL-5,6,7,8-TETRAHYDRO-4H-4A,7-METHANOOXAZIRIDINE-[3,2-I]-[2,1]-BENZISOTHIAZOLE]-3,3-DIOXIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14BrNO3S
InChI InChI=1S/C10H14BrNO3S/c1-8(2)6-3-4-9(8)5-16(13,14)12-10(9,15-12)7(6)11/h6-7H,3-5H2,1-2H3/t6-,7+,9-,10+,12?/m1/s1
InChIKey CECPSNLTUWYZDY-MDKBNZRMSA-N
Literature Reference Author M.CUDIC,R.HERRMANN
Literature Reference Citation MAGN.RES.CHEM.,31,461(1993)
Literature Reference DOI 10.1002/mrc.1260310509
Solvent CDCl3
Source File Reference UWRK150104