| SpectraBase Compound ID | QWyJigx7DC |
|---|---|
| InChI | InChI=1S/C26H32O6/c1-2-3-4-5-6-7-8-12-15-31-25(29)22-16-21(24(27)28)17-23(18-22)26(30)32-19-20-13-10-9-11-14-20/h9-11,13-14,16-18H,2-8,12,15,19H2,1H3,(H,27,28) |
| InChIKey | KGDULARJHRURNI-UHFFFAOYSA-N |
| Mol Weight | 440.5 g/mol |
| Molecular Formula | C26H32O6 |
| Exact Mass | 440.219889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Rede069nn2 |
|---|---|
| Name | 3-Benzyloxycarbonyl-5-decyloxycarbonyl-1-benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.219888744 u |
| Formula | C26H32O6 |
| InChI | InChI=1S/C26H32O6/c1-2-3-4-5-6-7-8-12-15-31-25(29)22-16-21(24(27)28)17-23(18-22)26(30)32-19-20-13-10-9-11-14-20/h9-11,13-14,16-18H,2-8,12,15,19H2,1H3,(H,27,28) |
| InChIKey | KGDULARJHRURNI-UHFFFAOYSA-N |
| Molecular Weight | 440.536 g/mol |
| SMILES | C=1(C(OCC2=CC=CC=C2)=O)C=C(C(=O)OCCCCCCCCCC)C=C(C1)C(=O)O |