| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9eKLgj6Aneq |
|---|---|
| Name | Thiamine cation |
| CAS Registry Number | 67-03-8 |
| Comments | REASSIGNED (A.H.), CHLORIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 |
| Instrument Name | Varian XL-100 |
| NMR Standard | Dioxane |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | H2O |