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Thiamine HCl (Vitamin B1)

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, 1 UV-Vis, and 3 MS (GC)

Thiamine HCl (Vitamin B1)
SpectraBase Compound ID KfxaCK9qLxU
InChI InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1
InChIKey DPJRMOMPQZCRJU-UHFFFAOYSA-M
Mol Weight 337.27 g/mol
Molecular Formula C12H18Cl2N4OS
Exact Mass 336.057838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GalCEPUMGfQ
Name THIAMINE, MONOHYDROCHLORIDE
Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17ClN4OS HCl
InChI InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1
InChIKey DPJRMOMPQZCRJU-UHFFFAOYSA-M
Melting Point 245-248C (dec.)
Molecular Weight 337.27
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms ANEURINE VITAMIN B1, HYDROCHLORIDE THIAMINE, HYDROCHLORIDE THIAZOLIUM CHLORIDE, 3-//4-AMINO-2- METHYL-5-PYRIMIDINYL/METHYL/-5-/2- HYDROXYETHYL/-4-METHYL-, HYDROCHLORIDE