| SpectraBase Compound ID | 9mYDpFto5Rc |
|---|---|
| InChI | InChI=1S/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/b11-6+;/t5-,7-,8+,9-,10+;/m0./s1 |
| InChIKey | QKFAFSGJTMHRRY-IMCRRPDGSA-M |
| Mol Weight | 397.45 g/mol |
| Molecular Formula | C10H16KNO9S2 |
| Exact Mass | 396.990355 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HCVJxOMHrZO |
|---|---|
| Name | SINIGRIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C10H16KNO9S2 |
| InChI | InChI=1S/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/b11-6+;/t5-,7-,8+,9-,10+;/m0./s1 |
| InChIKey | QKFAFSGJTMHRRY-IMCRRPDGSA-M |
| Literature Reference Author | A.SAKUSHIMA,M.COSKUN,T.MAOKA |
| Literature Reference Citation | PHYTOCHEM.,40,483(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00276-D |
| Molecular Weight | 397.457 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN3561 |