| SpectraBase Compound ID | 3rvZgjWUktE |
|---|---|
| InChI | InChI=1S/C32H60O9Si5/c1-35-26-21-24(17-19-25(26)37-42(2,3)4)18-20-29(33)36-27-22-32(41-46(14,15)16,31(34)40-45(11,12)13)23-28(38-43(5,6)7)30(27)39-44(8,9)10/h17-21,27-28,30H,22-23H2,1-16H3/t27-,28-,30-,32+/m1/s1 |
| InChIKey | IXVPJAVYTLDRIA-XDNICMEOSA-N |
| Mol Weight | 729.2 g/mol |
| Molecular Formula | C32H60O9Si5 |
| Exact Mass | 728.308366 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KrsVFPIQVpy |
|---|---|
| Name | 5-o-Feruloylquinic acid, 5tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 728.308366178 u |
| Formula | C32H60O9Si5 |
| InChI | InChI=1S/C32H60O9Si5/c1-35-26-21-24(17-19-25(26)37-42(2,3)4)18-20-29(33)36-27-22-32(41-46(14,15)16,31(34)40-45(11,12)13)23-28(38-43(5,6)7)30(27)39-44(8,9)10/h17-21,27-28,30H,22-23H2,1-16H3/t27-,28-,30-,32+/m1/s1 |
| InChIKey | IXVPJAVYTLDRIA-XDNICMEOSA-N |
| Molecular Weight | 729.248 g/mol |
| SMILES | C1[C@]([C@@]([C@@](C[C@@]1(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)(OC(\C=C\C1=CC=C(C(=C1)OC)O[Si](C)(C)C)=O)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H] |