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3-(1-CYANOETHYL)-2-METHYL-BENZO-[D]-THIAZOL-3-IUM-TRIFLATE
SpectraBase Compound ID 4y9PUE50QVg
InChI InChI=1S/C11H11N2S.CHF3O3S/c1-8(7-12)13-9(2)14-11-6-4-3-5-10(11)13;2-1(3,4)8(5,6)7/h3-6,8H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey CHNYACUYUGWNQC-UHFFFAOYSA-M
Mol Weight 352.35 g/mol
Molecular Formula C12H11F3N2O3S2
Exact Mass 352.016319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNSsX8C8b3A
Name 3-(1-CYANOETHYL)-2-METHYL-BENZO-[D]-THIAZOL-3-IUM-TRIFLATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11F3N2O3S2
InChI InChI=1S/C11H11N2S.CHF3O3S/c1-8(7-12)13-9(2)14-11-6-4-3-5-10(11)13;2-1(3,4)8(5,6)7/h3-6,8H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey CHNYACUYUGWNQC-UHFFFAOYSA-M
Literature Reference Author M.KUCUKDISLI,T.OPATZ
Literature Reference Citation EUR.J.ORG.CHEM.,2014,5836(2014)
Literature Reference DOI 10.1002/ejoc.201402618
Molecular Weight 352.346 g/mol
Solvent DMSO-D6
Source File Reference UWIR18974