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1,2,3-BENZOTRIAZOLIUM_TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID JxgrDjKjH5r
InChI InChI=1S/C6H5N3.CHF3O3S/c1-2-4-6-5(3-1)7-9-8-6;2-1(3,4)8(5,6)7/h1-4H,(H,7,8,9);(H,5,6,7)
InChIKey XECYTQKOWWBNNU-UHFFFAOYSA-N
Mol Weight 269.2 g/mol
Molecular Formula C7H6F3N3O3S
Exact Mass 269.008197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KyWp7wBIT4C
Name 1,2,3-BENZOTRIAZOLIUM_TRIFLUOROMETHANESULFONATE
Compound Number VII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H6F3N3O3S
InChI InChI=1S/C6H5N3.CHF3O3S/c1-2-4-6-5(3-1)7-9-8-6;2-1(3,4)8(5,6)7/h1-4H,(H,7,8,9);(H,5,6,7)
InChIKey XECYTQKOWWBNNU-UHFFFAOYSA-N
Literature Reference Author V.I.MESHCHERYAKOV,B.A.SHAINYAN,L.L.TOLSTIKOVA,A.I.ALBANOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,1517(2003)
Literature Reference DOI 10.1023/B:RUJO.0000010573.40618.c0
Molecular Weight 269.198 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ23293