| SpectraBase Compound ID | HgaMCTXluBI |
|---|---|
| InChI | InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/p-1/b12-7+/t5?,6-,8-,9+,10-,11+/m0/s1 |
| InChIKey | MYHSVHWQEVDFQT-KQQYHARSSA-M |
| Mol Weight | 388.38 g/mol |
| Molecular Formula | C11H18NO10S2 |
| Exact Mass | 388.037213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1TGkak4ZpZv |
|---|---|
| Name | 2-HYDROXYBUT-3-ENYLGLUCOSINOLATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C11H18NO10S2 |
| InChI | InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/p-1/b12-7+/t5?,6-,8-,9+,10-,11+/m0/s1 |
| InChIKey | MYHSVHWQEVDFQT-KQQYHARSSA-M |
| Literature Reference Author | A.BELKHIRI,G.B.LOCKWOOD |
| Literature Reference Citation | PHYTOCHEM.,29,1315(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85451-K |
| Molecular Weight | 388.385 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN29634 |