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3-PERFLUOROOCTYL-5-METHYL-1,2,4-TRIAZOLE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

3-PERFLUOROOCTYL-5-METHYL-1,2,4-TRIAZOLE
SpectraBase Compound ID GePlMprvQTf
InChI InChI=1S/C11H4F17N3/c1-2-29-3(31-30-2)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1H3,(H,29,30,31)
InChIKey QIVGTYHMRCZPQV-UHFFFAOYSA-N
Mol Weight 501.15 g/mol
Molecular Formula C11H4F17N3
Exact Mass 501.013376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7TMwdIl2G6D
Name 3-PERFLUOROOCTYL-5-METHYL-1,2,4-TRIAZOLE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H4F17N3
InChI InChI=1S/C11H4F17N3/c1-2-29-3(31-30-2)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1H3,(H,29,30,31)
InChIKey QIVGTYHMRCZPQV-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
Molecular Weight 501.146 g/mol
Solvent Unknown
Source File Reference UWVN21867