| SpectraBase Compound ID | CgrvoWRifso |
|---|---|
| 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)/b15-10+/t9-,11-,12+,13-,14+/m1/s1 |
| InChIKey | WWBNBPSEKLOHJU-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 | 4YvNSAAT7zz |
|---|---|
| Name | (4-Hydroxybenzyl)-glucosinolate |
| CAS Registry Number | 19253-84-0 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. 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)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10+/t9-,11-,12+,13-,14+/m1/s1 |
| InChIKey | WWBNBPSEKLOHJU-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 |