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5-AMINO-3-CYClOHEXYL-1-PHENYL-1,2,3-TRIAZOLIUM-TRIFLUOROACETATE

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5-AMINO-3-CYClOHEXYL-1-PHENYL-1,2,3-TRIAZOLIUM-TRIFLUOROACETATE
SpectraBase Compound ID 197lM4CGOFn
InChI InChI=1S/C14H19N4.C2HF3O2/c15-14-11-17(12-7-3-1-4-8-12)16-18(14)13-9-5-2-6-10-13;3-2(4,5)1(6)7/h2,5-6,9-12H,1,3-4,7-8,15H2;(H,6,7)/q+1;/p-1
InChIKey XFHTVHDMPXZKRD-UHFFFAOYSA-M
Mol Weight 356.35 g/mol
Molecular Formula C16H19F3N4O2
Exact Mass 356.14601 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hpnln5wd7oK
Name 5-AMINO-3-CYCLOHEXYL-1-PHENYL-1,2,3-TRIAZOLIUM-TRIFLUOROACETATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19F3N4O2
InChI InChI=1S/C14H19N4.C2HF3O2/c15-14-11-17(12-7-3-1-4-8-12)16-18(14)13-9-5-2-6-10-13;3-2(4,5)1(6)7/h2,5-6,9-12H,1,3-4,7-8,15H2;(H,6,7)/q+1;/p-1
InChIKey XFHTVHDMPXZKRD-UHFFFAOYSA-M
Literature Reference Author W.BOCIAN,J.W.WIENCH,L.STEFANIAK,G.A.WEBB
Literature Reference Citation MAGN.RES.CHEM.,34,453(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199606)34:6<453::aid-omr884>3.0.co;2-z
Solvent CF3COOH
Source File Reference UWRK3883