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(5S,7S)-5-FLUOROMETHYL-7-FLUORO-2-PHENYL-6,7-DIHYDRO-5H-PYRROLO-[2,1-C]-[1,2,4]-TRIAZOL-2-IUM-TETRAFLUOROBORATE
SpectraBase Compound ID 27IvJuFnQQt
InChI InChI=1S/C12H12F2N3.BF4/c13-7-10-6-11(14)12-15-17(8-16(10)12)9-4-2-1-3-5-9;2-1(3,4)5/h1-5,8,10-11H,6-7H2;/q+1;-1/t10-,11-;/m0./s1
InChIKey BNYKNSLOYWVTJJ-ACMTZBLWSA-N
Mol Weight 323.05 g/mol
Molecular Formula C12H12BF6N3
Exact Mass 323.102847 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FmPgK14LxA
Name (5S,7S)-5-FLUOROMETHYL-7-FLUORO-2-PHENYL-6,7-DIHYDRO-5H-PYRROLO-[2,1-C]-[1,2,4]-TRIAZOL-2-IUM-TETRAFLUOROBORATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12BF6N3
InChI InChI=1S/C12H12F2N3.BF4/c13-7-10-6-11(14)12-15-17(8-16(10)12)9-4-2-1-3-5-9;2-1(3,4)5/h1-5,8,10-11H,6-7H2;/q+1;-1/t10-,11-;/m0./s1
InChIKey BNYKNSLOYWVTJJ-ACMTZBLWSA-N
Literature Reference Author Y.P.REY,R.GILMOUR
Literature Reference Citation BEIL.J.ORG.CHEM.,9,2812(2013)
Literature Reference DOI 10.3762/bjoc.9.316
Solvent ACETONE-D6
Source File Reference UWLU77896