| SpectraBase Compound ID | 6ULrTwtrgVe |
|---|---|
| InChI | InChI=1S/C24H36O5/c1-2-3-4-9-12-19-28-23(26)13-10-7-5-6-8-11-14-24(27)29-22-17-15-21(20-25)16-18-22/h15-18,20H,2-14,19H2,1H3 |
| InChIKey | QDCANJXOHNYYGM-UHFFFAOYSA-N |
| Mol Weight | 404.5 g/mol |
| Molecular Formula | C24H36O5 |
| Exact Mass | 404.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYYCWrsHJZ3 |
|---|---|
| Name | Sebacic acid, 4-formylphenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.256274254 u |
| Formula | C24H36O5 |
| InChI | InChI=1S/C24H36O5/c1-2-3-4-9-12-19-28-23(26)13-10-7-5-6-8-11-14-24(27)29-22-17-15-21(20-25)16-18-22/h15-18,20H,2-14,19H2,1H3 |
| InChIKey | QDCANJXOHNYYGM-UHFFFAOYSA-N |
| Molecular Weight | 404.547 g/mol |
| SMILES | C(CCCCCCC(OC1=CC=C(C=O)C=C1)=O)CC(OCCCCCCC)=O |