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ENDO,ENDO-CIS-6,7,9-TRIMETHYL-1-THIONIABICYCLO-[4.3.0]-NONANE-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID CtkLJuNiT0v
InChI InChI=1S/C11H21S.CHF3O3S/c1-9-8-10(2)12-7-5-4-6-11(9,12)3;2-1(3,4)8(5,6)7/h9-10H,4-8H2,1-3H3;(H,5,6,7)/q+1;/p-1/t9-,10+,11-,12?;/m0./s1
InChIKey FYMXNDBHRNGYHT-IGBVVITGSA-M
Mol Weight 334.41 g/mol
Molecular Formula C12H21F3O3S2
Exact Mass 334.088421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6bXGhJSLCEC
Name ENDO,ENDO-CIS-6,7,9-TRIMETHYL-1-THIONIABICYCLO-[4.3.0]-NONANE-TRIFLUOROMETHANESULFONATE
CAS Registry Number 81702-79-6
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H21F3O3S2
InChI InChI=1S/C11H21S.CHF3O3S/c1-9-8-10(2)12-7-5-4-6-11(9,12)3;2-1(3,4)8(5,6)7/h9-10H,4-8H2,1-3H3;(H,5,6,7)/q+1;/p-1/t9-,10+,11-,12?;/m0./s1
InChIKey FYMXNDBHRNGYHT-IGBVVITGSA-M
Literature Reference Author V.CERE,C.PAOLUCCI,S.POLLICINO,E.SANDRI,A.FAVA
Literature Reference Citation J.ORG.CHEM.,47,2861(1982)
Literature Reference DOI 10.1021/jo00136a009
Molecular Weight 334.412 g/mol
Solvent D2O
Source File Reference UWCS11885