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ZTSCSSWGXMFPAE-GJZPUCRZSA-N
SpectraBase Compound ID FsTcH6jrHJW
InChI InChI=1S/C20H28Br.Br3/c1-11-3-15-5-12(1)6-16(4-11)19(15)20(21-19)17-7-13-2-14(9-17)10-18(20)8-13;1-3-2/h11-18H,1-10H2;/q+1;-1/t11-,12+,13-,14+,15-,16+,17-,18+,19-,20-;
InChIKey ZTSCSSWGXMFPAE-TZQLBAMDSA-N
Mol Weight 588.06 g/mol
Molecular Formula C20H28Br4
Exact Mass 583.892453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERXQGJjuSRg
Name ZTSCSSWGXMFPAE-GJZPUCRZSA-N
Compound Number 1-BR+/BR3-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28Br4
InChI InChI=1S/C20H28Br.Br3/c1-11-3-15-5-12(1)6-16(4-11)19(15)20(21-19)17-7-13-2-14(9-17)10-18(20)8-13;1-3-2/h11-18H,1-10H2;/q+1;-1/t11-,12+,13-,14+,15-,16+,17-,18+,19-,20-;
InChIKey ZTSCSSWGXMFPAE-TZQLBAMDSA-N
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 588.058 g/mol
Solvent Br2
Source File Reference UWSI3745