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(3AS, 7S)-7-bromo-7-chloro-8,8-dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methano-2,1-benzisothiazole 2,2-dioxide
SpectraBase Compound ID 4QyGemYkbJB
InChI InChI=1S/C10H13BrClNO2S/c1-8(2)6-3-4-9(8)5-16(14,15)13-7(9)10(6,11)12/h6H,3-5H2,1-2H3/t6-,9+,10+/m1/s1
InChIKey UGJSUEGTJHXXAE-UASFKTIASA-N
Mol Weight 326.64 g/mol
Molecular Formula C10H13BrClNO2S
Exact Mass 324.953891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzzEffXqlIe
Name (3AS, 7S)-7-bromo-7-chloro-8,8-dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methano-2,1-benzisothiazole 2,2-dioxide
Comments Reassigned 4/8 Mgr.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H13BrClNO2S
InChI InChI=1S/C10H13BrClNO2S/c1-8(2)6-3-4-9(8)5-16(14,15)13-7(9)10(6,11)12/h6H,3-5H2,1-2H3/t6-,9+,10+/m1/s1
InChIKey UGJSUEGTJHXXAE-UASFKTIASA-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