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3-{[4-amino-2-(trifluoromethyl)-5-pyrimidinyl]methyl}-5-(2-hydroxyethyl)-4-methylthiazolium chloride, hydrochloride
SpectraBase Compound ID IHGHxowjFhn
InChI InChI=1S/C12H14F3N4OS.2ClH/c1-7-9(2-3-20)21-6-19(7)5-8-4-17-11(12(13,14)15)18-10(8)16;;/h4,6,20H,2-3,5H2,1H3,(H2,16,17,18);2*1H/q+1;;/p-1
InChIKey WBADTNUFAIMMCV-UHFFFAOYSA-M
Mol Weight 391.24 g/mol
Molecular Formula C12H15Cl2F3N4OS
Exact Mass 390.029572 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6vHGhotS9oa
Name 3-{[4-AMINO-2-(TRIFLUOROMETHYL)-5-PYRIMIDINYL]METHYL}-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM CHLORIDE, MONOHYDROCHLORIDE
Source of Sample J. Barone, Fairfield University, Fairfield, Connecticut
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15Cl2F3N4OS
InChI InChI=1S/C12H14F3N4OS.2ClH/c1-7-9(2-3-20)21-6-19(7)5-8-4-17-11(12(13,14)15)18-10(8)16;;/h4,6,20H,2-3,5H2,1H3,(H2,16,17,18);2*1H/q+1;;/p-1
InChIKey WBADTNUFAIMMCV-UHFFFAOYSA-M
Literature Reference JOCE 26, 598(1961)
Melting Point 192-195C
Molecular Weight 391.238509
Synonyms THIAZOLIUM CHLORIDE, 3-//4-AMINO-2- TRIFLUOROMETHYL-5-PYRIMIDINYL/METHYL/- 5-/2-HYDROXYETHYL/-4-METHYL-, HYDROCHLORIDE
Technique KBr WAFER