For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Thiamin

View entire compound with spectra: 11 NMR, and 2 MS (GC)

Thiamin
SpectraBase Compound ID 3sR57yqc4Eu
InChI InChI=1S/C12H17N4OS/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)/q+1
InChIKey JZRWCGZRTZMZEH-UHFFFAOYSA-N
Mol Weight 265.35 g/mol
Molecular Formula C12H17N4OS
Exact Mass 265.112307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FpF87nPCs2k
Name 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanol
Alternate Name(s) 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol 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 Clotiamina Eskapen Eskaphen HYBEE LIXA-BETA Metabolin Slowten Thiamine Thiadoxine Thiamin Thiaminal Thiamol Thiavit 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 70-16-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N4OS
InChI InChI=1S/C12H17N4OS/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)/q+1
InChIKey JZRWCGZRTZMZEH-UHFFFAOYSA-N
Molecular Weight 265.355 g/mol
SMILES OCCc1c([n+](Cc2cnc(nc2N)C)cs1)C
SPLASH splash10-03dl-0920000000-d5986eba6f6cb601f77d
Source of Spectrum QA-33-176-0
Wiley ID 861000