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1-BUTYL-4-(3,3,3-TRIFLUOROPROPYL)-1,2,4-TRIAZOLIUM-TRIFLUOROMETHANESULFONATE

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1-BUTYL-4-(3,3,3-TRIFLUOROPROPYL)-1,2,4-TRIAZOLIUM-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID 4bJmGYjsCi4
InChI InChI=1S/C9H15F3N3.CHF3O3S/c1-2-3-5-15-8-14(7-13-15)6-4-9(10,11)12;2-1(3,4)8(5,6)7/h7-8H,2-6H2,1H3;(H,5,6,7)/q+1;/p-1
InChIKey YFDPPWFKUCADIR-UHFFFAOYSA-M
Mol Weight 371.3 g/mol
Molecular Formula C10H15F6N3O3S
Exact Mass 371.073832 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DIOHkCk7xEs
Name 1-BUTYL-4-(3,3,3-TRIFLUOROPROPYL)-1,2,4-TRIAZOLIUM-TRIFLUOROMETHANESULFONATE
Compound Number 5R
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H15F6N3O3S
InChI InChI=1S/C9H15F3N3.CHF3O3S/c1-2-3-5-15-8-14(7-13-15)6-4-9(10,11)12;2-1(3,4)8(5,6)7/h7-8H,2-6H2,1H3;(H,5,6,7)/q+1;/p-1
InChIKey YFDPPWFKUCADIR-UHFFFAOYSA-M
Literature Reference Author Y.R.MIRZAEI,B.TWAMLEY,J.M.SHREEVE
Literature Reference Citation J.ORG.CHEM.,67,9340(2002)
Literature Reference DOI 10.1021/jo026350g
Solvent ACETONE-D6
Source File Reference UWMS25353