| SpectraBase Compound ID | 6BINWUbCnSO |
|---|---|
| InChI | InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m0/s1 |
| InChIKey | BMRSEYFENKXDIS-LUTKEZBSSA-N |
| Mol Weight | 338.31 g/mol |
| Molecular Formula | C16H18O8 |
| Exact Mass | 338.100168 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5krc5kh374n |
|---|---|
| Name | p-Coumaroylquinic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H18O8 |
| InChI | InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m0/s1 |
| InChIKey | BMRSEYFENKXDIS-LUTKEZBSSA-N |
| Instrument Name | LCMS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jsfa.11772 |
| Molecular Weight | 338.312 g/mol |
| SMILES | Oc1ccc(\C=C\C(O[C@]2(C[C@](C[C@@]([C@@]2(O)[H])(O)[H])(C(=O)O)O)[H])=O)cc1 |
| SPLASH | splash10-03di-0900000000-e11f5c484dc339237a6f |
| Source of Spectrum | SFA-102-4212-Table 1-4 |
| Wiley ID | 1876950 |