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Thiamine

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

Thiamine
SpectraBase Compound ID DdhIfAzIfsU
InChI InChI=1S/C12H17N4OS.ClH/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);1H/q+1;/p-1
InChIKey MYVIATVLJGTBFV-UHFFFAOYSA-M
Mol Weight 300.81 g/mol
Molecular Formula C12H17ClN4OS
Exact Mass 300.08116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MqjjV7S9VA
Name 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanol chloride
Alternate Name(s) 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol chloride 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-m- ethylthiazolium chloride, monohydrochloride aneurin Antiberiberi factor Apate drops Beatine Bedome Begiolan Benerva Bequin BERIN Betabion Betalin S Betaxin Bethiazine Beuion Bevitex Bevitine BEWON Biamine Bithiamin BIUNO Bivatin Bivita Chloride-hydrochloride salt of thiamine Clotiamina Eskapen Eskaphen HYBEE LIXA-BETA Metabolin Slowten Thiamine Thiadoxine Thiamin Thiamin dichloride Thiamin hydrochloride Thiaminal Thiamine dichloride Thiamine HCl Thiamine, chloride, hydrochloride Thiamine, monohydrochloride Thiaminium chloride hydrochloride Thiamol Thiavit Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-m- ethyl, chloride, monohydrochloride Tiamidon Tiaminal Vetalin S Vinothiam Vitamin B1 Vitaneurin Vitaneuron AI3-18993 CCRIS 1906 EINECS 200-641-8 FEMA NO. 3322 NSC 36226
CAS Registry Number 59-43-8
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Formula C12H17ClN4OS
InChI InChI=1S/C12H17N4OS.ClH/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);1H/q+1;/p-1
InChIKey MYVIATVLJGTBFV-UHFFFAOYSA-M
Molecular Weight 300.808 g/mol
SMILES [Cl-].OCCc1c([n+](Cc2cnc(nc2N)C)cs1)C
SPLASH splash10-03di-9600000000-9d63541dddcbf9361948
Wiley ID 1509102