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3-PHENYL-5,5,6,6,7,7,8,8,9,9,10,10,10-TRIDECAFLUORO-(3E)-BUTEN-1-YNE
SpectraBase Compound ID JOFaCLtdNlY
InChI InChI=1S/C16H7F13/c1-2-9(10-6-4-3-5-7-10)8-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h1,3-8H/b9-8-
InChIKey QQGCSSDRFPMFGB-HJWRWDBZSA-N
Mol Weight 446.21 g/mol
Molecular Formula C16H7F13
Exact Mass 446.034016 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Id20NEC6Gcd
Name 3-PHENYL-5,5,6,6,7,7,8,8,9,9,10,10,10-TRIDECAFLUORO-(3E)-BUTEN-1-YNE
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H7F13
InChI InChI=1S/C16H7F13/c1-2-9(10-6-4-3-5-7-10)8-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h1,3-8H/b9-8-
InChIKey QQGCSSDRFPMFGB-HJWRWDBZSA-N
Literature Reference Author S.SAITO,T.KAWASAKI,N.TSUBOYA,Y.YAMAMOTO
Literature Reference Citation J.ORG.CHEM.,66,796(2001)
Literature Reference DOI 10.1021/jo0056242
Solvent CDCl3
Source File Reference UWVN26133