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BMWIUZKUVBNQAN-TZQLBAMDSA-N
SpectraBase Compound ID BP0h4pJY2kG
InChI InChI=1S/C20H28I.CHN/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;1-2/h11-18H,1-10H2;1H/q+1;/t11-,12+,13-,14+,15-,16+,17-,18+,19-,20-;
InChIKey BMWIUZKUVBNQAN-TZQLBAMDSA-N
Mol Weight 422.37 g/mol
Molecular Formula C21H29IN
Exact Mass 422.13447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID b5EIwU5t6s
Name BMWIUZKUVBNQAN-TZQLBAMDSA-N
Compound Number 1I+/CN-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29IN
InChI InChI=1S/C20H28I.CHN/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;1-2/h11-18H,1-10H2;1H/q+1;/t11-,12+,13-,14+,15-,16+,17-,18+,19-,20-;
InChIKey BMWIUZKUVBNQAN-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 422.372 g/mol
Solvent SO2
Source File Reference UWSI3749