Thiamine
Compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)
| 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
Thiamine dication
5-(2-hydroxyethyl)-3-[(4-hydroxy-2-methyl-5-pyrimidinyl)methyl]-4-methylthiazolium chloride, hydrochloride
Trimethoprim-M (4O-desmethyl) AC
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
(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
2-(4-Methoxyphenylamino)-4-(4-methylphenylamino)-5-(trifluoromethyl)pyrimidine
| Title | Journal or Book | Year |
|---|---|---|
| Spectral analysis using spin-lattice relaxation data and specific deuteration. Thiamine hydrochloride | The Journal of Organic Chemistry | 1974 |
This compound is available in the following databases:
Wiley Registry of Tandem Mass Spectral Data: MS for ID
Author: Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
The Wiley Registry® of Tandem Mass Spectral Data: MS for ID contains 10,000 positive and negative mode spectra of over 1200 compounds of interest for forensics, toxicology, and pathology. Learn more.
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.