| SpectraBase Compound ID | Cq7rj9vmTtY |
|---|---|
| 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+/m0/s1 |
| InChIKey | CWVRJTMFETXNAD-KJOPMHRFSA-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 | 9BKIfsKyKEX |
|---|---|
| Name | CHLOROGENIC-ACID |
| Compound Number | 1 |
| 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+/m0/s1 |
| InChIKey | CWVRJTMFETXNAD-KJOPMHRFSA-N |
| Literature Reference Author | G.F.PAULI,U.KUCZKOWIAK,A.NAHRSTEDT |
| Literature Reference Citation | MAGN.RES.CHEM.,37,827(1999) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199911)37:11<827::aid-mrc568>3.0.co;2-w |
| Molecular Weight | 354.314 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWGE5071 |