| SpectraBase Compound ID | 6DjamOO4ZDn |
|---|---|
| InChI | InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/b16-11+/t10-,12-,13+,14-,15+/m1/s1 |
| InChIKey | CKIJIGYDFNXSET-MFIRQCQASA-N |
| Mol Weight | 423.45 g/mol |
| Molecular Formula | C15H21NO9S2 |
| Exact Mass | 423.065774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | L20pfebM8jb |
|---|---|
| Name | 2-Phenethyl-glucosinolate |
| CAS Registry Number | 499-30-9 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C15H21NO9S2 |
| InChI | InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/b16-11+/t10-,12-,13+,14-,15+/m1/s1 |
| InChIKey | CKIJIGYDFNXSET-MFIRQCQASA-N |
| Literature Reference | O. Olsen, H. Sorensen, Phytochem. 19, 1783 (1980). |
| NMR Standard | Dioxane |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |