| SpectraBase Compound ID | Ha5GKPB3w4v |
|---|---|
| InChI | InChI=1S/C19H24O6/c1-6-23-17(20)10-8-14-7-9-15(24-18(21)12(2)3)16(11-14)25-19(22)13(4)5/h7-13H,6H2,1-5H3/b10-8+ |
| InChIKey | CAJVPXZNSDQHRK-CSKARUKUSA-N |
| Mol Weight | 348.4 g/mol |
| Molecular Formula | C19H24O6 |
| Exact Mass | 348.157288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KPs50BPbRGZ |
|---|---|
| Name | Ethyl trans-caffeate, bis(2-methylpropionate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.157288487 u |
| Formula | C19H24O6 |
| InChI | InChI=1S/C19H24O6/c1-6-23-17(20)10-8-14-7-9-15(24-18(21)12(2)3)16(11-14)25-19(22)13(4)5/h7-13H,6H2,1-5H3/b10-8+ |
| InChIKey | CAJVPXZNSDQHRK-CSKARUKUSA-N |
| Molecular Weight | 348.395 g/mol |
| SMILES | C(\C=C\C1=CC(OC(C(C)C)=O)=C(C=C1)OC(C(C)C)=O)(OCC)=O |