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TRANS-4-(4'-FLUOROBENZYL)-4-METHYL-4-PHOSPHONIATETRACYCLO-[3.3.0.0(2,8).0(3,6)]-OCTANE-BROMIDE
SpectraBase Compound ID 57GiblWUPFi
InChI InChI=1S/C15H17FP.BrH/c1-17(7-8-2-4-9(16)5-3-8)14-11-6-10-12(14)13(10)15(11)17;/h2-5,10-15H,6-7H2,1H3;1H/q+1;/p-1/t10?,11-,12-,13+,14-,15-,17?;/m0./s1
InChIKey ZOKNEJMLXUFNFQ-NXNQGGTMSA-M
Mol Weight 327.18 g/mol
Molecular Formula C15H17BrFP
Exact Mass 326.023529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FcOUEmapXqX
Name CIS-4-(4'-FLUOROBENZYL)-4-METHYL-4-PHOSPHONIATETRACYCLO-[3.3.0.0(2,8).0(3,6)]-OCTANE-BROMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17BrFP
InChI InChI=1S/C15H17FP.BrH/c1-17(7-8-2-4-9(16)5-3-8)14-11-6-10-12(14)13(10)15(11)17;/h2-5,10-15H,6-7H2,1H3;1H/q+1;/p-1/t10?,11-,12-,13+,14-,15-,17?;/m0./s1
InChIKey ZOKNEJMLXUFNFQ-NXNQGGTMSA-M
Literature Reference Author S.E.CREMER,J.M.COWLES,F.R.FARR,H.O.HWANG,P.W.KREMER,A.C.PETE RSON,G.A.GRAY
Literature Reference Citation J.ORG.CHEM.,57,511(1992)
Literature Reference DOI 10.1021/jo00028a022
Molecular Weight 327.176 g/mol
Solvent CDCl3
Source File Reference UWCS2027