| SpectraBase Compound ID | 5M8Vj3XYpfV |
|---|---|
| InChI | InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13- |
| InChIKey | BTNNPSLJPBRMLZ-LGMDPLHJSA-N |
| Mol Weight | 466.45 g/mol |
| Molecular Formula | C19H23N4O6PS |
| Exact Mass | 466.107593 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KYzv3cbNBCz |
|---|---|
| Name | BENFOTIAMINE-ARTIFACT |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| InChI | InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13- |
| InChIKey | BTNNPSLJPBRMLZ-LGMDPLHJSA-N |
| Instrument Name | DI |
| Molecular Weight | 466.449 g/mol |
| SMILES | OP(OCC\C(=C/(N(Cc1c(N)nc(nc1)C)C=O)C)SC(=O)c1ccccc1)(=O)O |
| SPLASH | splash10-056r-9700000000-3ec31077d4fe365f1dcb |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |