Thiamine HCl (Vitamin B1)
Compound with spectra: 1 NMR, 3 FTIR, 2 Raman, 1 UV-Vis, and 3 MS (GC)
| 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 |
| Parent InChIKey | JZRWCGZRTZMZEH-UHFFFAOYSA-M |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Fluka Chemie AG, Buchs, Switzerland |
| Technique | KBr WAFER |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Fluka Chemie AG, Buchs, Switzerland |
| Technique | KBr WAFER |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | MCB Manufacturing Chemists, Norwood, Ohio |
| Solvent | Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Supelco, Sigma-Aldrich |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 47858 |
| Copyright | Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 109177 |
| Copyright | Copyright © 2008-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Methanol |
| Copyright | Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
|---|---|
| Source of Spectrum | B4-0-0-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-11929-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | B4-0-0-0 |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 109177 |
- 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methythiazolium chloride, monohydrochloride
- Thiamine hydrochloride
- Thiamin hydrochloride
- Thiamine, monohydrochloride
- Vitamin B1 hydrochloride
- ANEURINE
- THIAZOLIUM CHLORIDE, 3-//4-AMINO-2- METHYL-5-PYRIMIDINYL/METHYL/-5-/2- HYDROXYETHYL/-4-METHYL-, HYDROCHLORIDE
- 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-m- ethylthiazolium chloride, monohydrochloride
- 3-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride hydrochloride
- Hydrochloride
- Thiamine chloride hydrochlorideVitamin B hydrochloride2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl}ethan- 1-ol, chloride, chloride2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
- chloride
Thiamine dication
5-(2-hydroxyethyl)-3-[(4-hydroxy-2-methyl-5-pyrimidinyl)methyl]-4-methylthiazolium chloride, hydrochloride
N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-n-[4-hydroxy-1-methyl-2-(propyldithio)-1-butenyl]formamide
Benzamide, 4-nitro-N-(5-ethoxymethyl-2-methylpyrimid-4-yl)-
2-({4-amino-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-{[4-({4-[2-({4-amino-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]phenoxy}methyl)phenyl]methoxy}phenyl)ethan-1-one
1-{1-[(6-Chloropyridin-3-yl) methyl]-5-methyl-1H-1,2,3-triazol-4-yl} ethanone oxime
(phenylmethyl) 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
5,6-bis(hex-1-Ynyl)isoindole-1,3-dione
2-(4-Methoxyphenylamino)-4-(4-fluorophenylamino)-5-(trifluoromethyl)pyrimidine
N-(2-(2-chlorobenzoyl)phenyl)acetamide
This compound is available in the following databases:
KnowItAll Raman Spectral Library
Author: Wiley
Wiley's KnowItAll Raman Spectral Library offers access to the world's largest collection of high-quality Raman spectra, including the renowned Sadtler databases. Learn more.