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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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7wj1qjU7aYl
Name Thiamine HCl (Vitamin B1)
Source of Sample Supelco, Sigma-Aldrich
Catalog Number 47858
Lot Number LB61003
CAS Registry Number 67-03-8
Compound Type Pure
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Formula C12H18Cl2N4OS
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
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd: YAG
Raman Laser Wavelength 1064
Sadtler IR Number DW0345
Source of Spectrum Forensic Spectral Research
Synonyms 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methythiazolium chloride, monohydrochloride
Technique FT-Raman