| SpectraBase Compound ID | 3VltpZys980 |
|---|---|
| InChI | InChI=1S/C15H21NO9S2.K/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);/q;+1/p-1/b16-11-;/t10-,12-,13+,14-,15+;/m1./s1 |
| InChIKey | GRDVEEVTGDFZCR-WMOVLZJTSA-M |
| Mol Weight | 461.54 g/mol |
| Molecular Formula | C15H20KNO9S2 |
| Exact Mass | 461.021655 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EJWP58KIXtT |
|---|---|
| Name | 2-Phenethylglucosinolate |
| Alternate Name(s) | potassium 1-S-[(1Z)-3-phenyl-N-(sulfonatooxy)propanimidoyl]-1-thiohexopyranose |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20KNO9S2 |
| InChI | InChI=1S/C15H21NO9S2.K/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);/q;+1/p-1/b16-11-;/t10-,12-,13+,14-,15+;/m1./s1 |
| InChIKey | GRDVEEVTGDFZCR-WMOVLZJTSA-M |
| Molecular Weight | 461.541 g/mol |
| SMILES | [K+].O[C@]1([C@@]([C@@](CO)(O[C@]([C@@]1(O)[H])(S\C(=N/OS([O-])(=O)=O)CCc1ccccc1)[H])[H])(O)[H])[H] |
| SPLASH | splash10-0006-9300000000-47575e7801ff00051051 |
| Source of Spectrum | F-36-782-0 |
| Wiley ID | 1390727 |