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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
Parent InChIKey JZRWCGZRTZMZEH-UHFFFAOYSA-M
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum NP-18-6920-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Technique KBr-Pellet
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CH3OH:H2O
  • Thiamine hydrochloride
  • 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanol chloride
  • Thiamine ,salt
  • Thiamine cation
  • Vitamin B1 hydrochloride
  • Aneurine hydrochloride
Title Journal or Book Year
Spectral analysis using spin-lattice relaxation data and specific deuteration. Thiamine hydrochloride The Journal of Organic Chemistry 1974

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