| SpectraBase Compound ID | DWaeFMN8szo |
|---|---|
| InChI | InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-2-1-3-8(17)4-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10+/t9-,11-,12+,13-,14+/m1/s1 |
| InChIKey | NHGGOERHNDJFBY-BXLHIMNRSA-N |
| Mol Weight | 425.42 g/mol |
| Molecular Formula | C14H19NO10S2 |
| Exact Mass | 425.045038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cd3VvC9yE5K |
|---|---|
| Name | M-Hydroxybenzyl-glucosinolate |
| CAS Registry Number | 59204-64-7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C14H19NO10S2 |
| InChI | InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-2-1-3-8(17)4-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10+/t9-,11-,12+,13-,14+/m1/s1 |
| InChIKey | NHGGOERHNDJFBY-BXLHIMNRSA-N |
| Literature Reference | O. Olsen, H. Sorensen, Phytochem. 19, 1783 (1980). |
| NMR Standard | Dioxane |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |