| SpectraBase Compound ID | 4kKwCfb3Wx9 |
|---|---|
| InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| InChIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
| Mol Weight | 354.31 g/mol |
| Molecular Formula | C16H18O9 |
| Exact Mass | 354.095082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98SsYg13a8S |
|---|---|
| Name | 5-O-CAFFEOYL-QUINIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H18O9 |
| InChI | InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
| InChIKey | CWVRJTMFETXNAD-JUHZACGLSA-N |
| Literature Reference Author | J.C.BATISTA,S.M.D.O.SANTIN,I.T.A.SCHUQUEL,L.L.M.D.ARRUDA,C.A .BERSANI-AMADO |
| Literature Reference Citation | QUIM.NOVA,37,638(2014) |
| Molecular Weight | 354.314 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR11932 |