| SpectraBase Compound ID | 4VyXVOtZ8A3 |
|---|---|
| InChI | InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,9-13,15-17,19-21H,2-3H2,1H3,(H,22,23)/t5-,6?,9-,10?,11-,12+,13-,15-,16+/m0/s1 |
| InChIKey | HGYUBLMQZDQRSI-WZOKMLPOSA-N |
| Mol Weight | 374.34 g/mol |
| Molecular Formula | C16H22O10 |
| Exact Mass | 374.121297 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3kv9DyHvMCC |
|---|---|
| Name | KETOLOGANIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H22O10 |
| InChI | InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,9-13,15-17,19-21H,2-3H2,1H3,(H,22,23)/t5-,6?,9-,10?,11-,12+,13-,15-,16+/m0/s1 |
| InChIKey | HGYUBLMQZDQRSI-WZOKMLPOSA-N |
| Literature Reference Author | S.DAMTOFT,H.FRANZYK,S.R.JENSEN |
| Literature Reference Citation | PHYTOCHEM.,45,743(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00023-X |
| Molecular Weight | 374.345 g/mol |
| Solvent | D2O |
| Source File Reference | UWSP1539 |