| 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 |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EorWMY4UD0q |
|---|---|
| Name | Thiamine hydrochloride |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H18Cl2N4OS |
| 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 |
| Ionization Type | EI-B |
| Molecular Weight | 337.269 g/mol |
| SMILES | Cl.OCCc1sc[n+](Cc2c(nc(nc2)C)N)c1C.[Cl-] |
| SPLASH | splash10-01si-9400000000-9ed62881779e1c1c841a |
| Source of Spectrum | SRH-2022-11929-0 |
| Wiley ID | 1833474 |