| SpectraBase Compound ID | 2ySs582TMxB |
|---|---|
| InChI | InChI=1S/C12H18N4O7P2S/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) |
| InChIKey | AYEKOFBPNLCAJY-UHFFFAOYSA-N |
| Mol Weight | 424.3 g/mol |
| Molecular Formula | C12H18N4O7P2S |
| Exact Mass | 424.037144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LoY62gsFCzJ |
|---|---|
| Name | Thiaminecocarboxylase |
| CAS Registry Number | 136-09-4 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H18N4O7P2S |
| InChI | InChI=1S/C12H18N4O7P2S/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) |
| InChIKey | AYEKOFBPNLCAJY-UHFFFAOYSA-N |
| Instrument Name | Bruker AM-270 |
| NMR Standard | TMS-PRSO3 Na |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |