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3-Perfluorooctyl-1,5-dimethyl-1,2,4-triazole
SpectraBase Compound ID KoQDtQXOcfX
InChI InChI=1S/C12H6F17N3/c1-3-30-4(31-32(3)2)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-2H3
InChIKey KGVUMYAJUJPWRX-UHFFFAOYSA-N
Mol Weight 515.17 g/mol
Molecular Formula C12H6F17N3
Exact Mass 515.029026 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nuaF5iuv2x
Name 3-PERFLUOROOCTYL-1,5-DIMETHYL-1,2,4-TRIAZOLE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H6F17N3
InChI InChI=1S/C12H6F17N3/c1-3-30-4(31-32(3)2)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-2H3
InChIKey KGVUMYAJUJPWRX-UHFFFAOYSA-N
Literature Reference Author H.XUE,B.TWAMLEY,J.M.SHREEVE
Literature Reference Citation J.ORG.CHEM.,69,1397(2004)
Literature Reference DOI 10.1021/jo0356107
Solvent Unknown
Source File Reference UWVN21870