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ROCOFUHYYOSRTG-TZQLBAMDSA-M

View entire compound with spectra: 3 NMR

ROCOFUHYYOSRTG-TZQLBAMDSA-M
SpectraBase Compound ID hkPKnbJ3XX
InChI InChI=1S/C20H28Br.CHF3O3S/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;2-1(3,4)8(5,6)7/h11-18H,1-10H2;(H,5,6,7)/q+1;/p-1/t11-,12+,13-,14+,15-,16+,17-,18+,19-,20-;
InChIKey ROCOFUHYYOSRTG-TZQLBAMDSA-M
Mol Weight 497.41 g/mol
Molecular Formula C21H28BrF3O3S
Exact Mass 496.089463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74Ni02xzfkQ
Name ROCOFUHYYOSRTG-TZQLBAMDSA-M
Compound Number 1-BR+/OTF-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28BrF3O3S
InChI InChI=1S/C20H28Br.CHF3O3S/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;2-1(3,4)8(5,6)7/h11-18H,1-10H2;(H,5,6,7)/q+1;/p-1/t11-,12+,13-,14+,15-,16+,17-,18+,19-,20-;
InChIKey ROCOFUHYYOSRTG-TZQLBAMDSA-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 497.411 g/mol
Solvent CD2Cl2
Source File Reference UWSI3744