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RAZNYTSPIMCCEV-KBIZGMATSA-M
SpectraBase Compound ID 8JsAF5tTPIP
InChI InChI=1S/C18H28Br.CHF3O3S/c1-5-13-7-2-8-14(6-1)17(13)18(19-17)15-9-3-10-16(18)12-4-11-15;2-1(3,4)8(5,6)7/h13-16H,1-12H2;(H,5,6,7)/q+1;/p-1/t13-,14+,15-,16+,17-,18-;
InChIKey RAZNYTSPIMCCEV-KBIZGMATSA-M
Mol Weight 473.39 g/mol
Molecular Formula C19H28BrF3O3S
Exact Mass 472.089463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JSLfVB4mAH
Name RAZNYTSPIMCCEV-KBIZGMATSA-M
Compound Number 2I+/OTF-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28BrF3O3S
InChI InChI=1S/C18H28Br.CHF3O3S/c1-5-13-7-2-8-14(6-1)17(13)18(19-17)15-9-3-10-16(18)12-4-11-15;2-1(3,4)8(5,6)7/h13-16H,1-12H2;(H,5,6,7)/q+1;/p-1/t13-,14+,15-,16+,17-,18-;
InChIKey RAZNYTSPIMCCEV-KBIZGMATSA-M
Literature Reference Author R.S.BROWN,R.W.NAGORSKI,A.J.BENNET,R.E.D.MCCLUNG,G.H.M.AARTS, M.KLOBUKOWSKI,R.MCDO
Literature Reference Citation J.AM.CHEM.SOC.,116,2448(1994)
Literature Reference DOI 10.1021/ja00085a027
Molecular Weight 473.389 g/mol
Solvent CD2Cl2
Source File Reference UWSI3753