SpectraBase Compound ID | E0UM5Z7LoDs |
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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 |
SpectraBase Spectrum ID | C9MvLq0ba |
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Name | thiamine, trihydrogen pyrophosphate, tetrahydrate |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 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 |
Sadtler IR Number | 26672 |
Sadtler UV Number | 37038N |
Solvent | Methanol |