| SpectraBase Compound ID | LTHvo3aeUCq |
|---|---|
| InChI | InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-6,8,12-13,15,17-18,20H,7H2,(H,21,22)/b6-3+/t12-,13-,15+/m1/s1 |
| InChIKey | LKLFKFQUYFROPV-ADMZAUMBSA-N |
| Mol Weight | 320.3 g/mol |
| Molecular Formula | C16H16O7 |
| Exact Mass | 320.089603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BSntc8tyNT |
|---|---|
| Name | 3-O-PARA-COUMAROYLSHIKIMIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H16O7 |
| InChI | InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-6,8,12-13,15,17-18,20H,7H2,(H,21,22)/b6-3+/t12-,13-,15+/m1/s1 |
| InChIKey | LKLFKFQUYFROPV-ADMZAUMBSA-N |
| Literature Reference Author | K.P.ADAM |
| Literature Reference Citation | PHYTOCHEM.,52,929(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00326-X |
| Molecular Weight | 320.299 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN426 |