| SpectraBase Compound ID | 5SmFQZUG0bq |
|---|---|
| InChI | InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/p-1/b15-10-/t9-,11-,12+,13-,14+/m1/s1 |
| InChIKey | WWBNBPSEKLOHJU-RFEZBLSLSA-M |
| Mol Weight | 424.42 g/mol |
| Molecular Formula | C14H18NO10S2 |
| Exact Mass | 424.037213 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DOEPd4zJsZ4 |
|---|---|
| Name | Sinalbin |
| CAS Registry Number | 27299-07-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H18NO10S2 |
| InChI | InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/p-1/b15-10-/t9-,11-,12+,13-,14+/m1/s1 |
| InChIKey | WWBNBPSEKLOHJU-RFEZBLSLSA-M |
| Molecular Weight | 424.415 g/mol |
| SMILES | O[C@]1([C@@]([C@](O[C@]([C@@]1(O)[H])(S\C(=N/OS([O-])(=O)=O)Cc1ccc(cc1)O)[H])(CO)[H])(O)[H])[H] |
| SPLASH | splash10-0a6u-9200000000-6c2b8635dcd7b2eb9a46 |
| Source of Spectrum | W5-1989-8656-1 |
| Wiley ID | 1379059 |