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(S)-2-PHENYL-5-(TRIFLUOROMETHYL)-6,7-DIHYDRO-5H-PYRROLO-[2,1-C]-[1,2,4]-TRIAZOL-2-IUM-TETRAFLUOROBORATE
SpectraBase Compound ID 2TCqr4yAI6P
InChI InChI=1S/C12H11F3N3.BF4/c13-12(14,15)10-6-7-11-16-18(8-17(10)11)9-4-2-1-3-5-9;2-1(3,4)5/h1-5,8,10H,6-7H2;/q+1;-1/t10-;/m0./s1
InChIKey MKHNTWAMWNWFJP-PPHPATTJSA-N
Mol Weight 341.04 g/mol
Molecular Formula C12H11BF7N3
Exact Mass 341.093425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BDFaI6YWpq9
Name (S)-2-PHENYL-5-(TRIFLUOROMETHYL)-6,7-DIHYDRO-5H-PYRROLO-[2,1-C]-[1,2,4]-TRIAZOL-2-IUM-TETRAFLUOROBORATE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11BF7N3
InChI InChI=1S/C12H11F3N3.BF4/c13-12(14,15)10-6-7-11-16-18(8-17(10)11)9-4-2-1-3-5-9;2-1(3,4)5/h1-5,8,10H,6-7H2;/q+1;-1/t10-;/m0./s1
InChIKey MKHNTWAMWNWFJP-PPHPATTJSA-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
Molecular Weight 341.038 g/mol
Solvent CDCl3
Source File Reference UWLU77902