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N-ETHYL-2-METHYLBENZOTHIAZOLIUM-QUATERNARY-IODIDE
SpectraBase Compound ID INsPiccSDv0
InChI InChI=1S/C10H12NS.HI/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
InChIKey HWFCSPDBFXYFKY-UHFFFAOYSA-M
Mol Weight 305.18 g/mol
Molecular Formula C10H12INS
Exact Mass 304.973516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzC3ZHKtFML
Name N-ETHYL-2-METHYLBENZOTHIAZOLIUM-QUATERNARY-IODIDE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12INS
InChI InChI=1S/C10H12NS.HI/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
InChIKey HWFCSPDBFXYFKY-UHFFFAOYSA-M
Literature Reference Author A.C.PARDAL,S.S.RAMOS,P.F.SANTOS,L.V.REIS,P.ALMEIDA
Literature Reference Citation MOLECULES,7,320(2002)
Literature Reference DOI 10.3390/70300320
Molecular Weight 305.176 g/mol
Solvent DMSO-D6
Source File Reference UWLU7701