| SpectraBase Compound ID | E0UM5Z7LoDs |
|---|---|
| InChI | InChI=1S/C12H18N4O7P2S.ClH.4H2O/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;;;;;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H;4*1H2 |
| InChIKey | YXGVMYQQOAFBOO-UHFFFAOYSA-N |
| Mol Weight | 532.826 g/mol |
| Molecular Formula | C12H27ClN4O11P2S |
| Exact Mass | 532.056081 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I7lLS8Zxc2K |
|---|---|
| Name | thiamine, trihydrogen pyrophosphate, tetrahydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H27ClN4O11P2S |
| InChI | InChI=1S/C12H18N4O7P2S.ClH.4H2O/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;;;;;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H;4*1H2 |
| InChIKey | YXGVMYQQOAFBOO-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 35687M |
| Solvent | D2O |