| SpectraBase Compound ID | 3sR5RL0uo3Q |
|---|---|
| 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/p+1 |
| InChIKey | JZRWCGZRTZMZEH-UHFFFAOYSA-O |
| Mol Weight | 266.36 g/mol |
| Molecular Formula | C12H18N4OS |
| Exact Mass | 266.120132 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1vvOPttygvI |
|---|---|
| Name | Thiamine dication |
| Comments | DICHLORIDE REASSIGNED |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H18N4OS |
| 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/p+1 |
| InChIKey | JZRWCGZRTZMZEH-UHFFFAOYSA-O |
| Instrument Name | Varian CFT-20 |
| NMR Standard | Dioxane |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |