| SpectraBase Compound ID | LXsuKgfWIdS |
|---|---|
| InChI | InChI=1S/C22H40O5/c1-2-3-4-9-12-17-26-21(23)15-10-7-5-6-8-11-16-22(24)27-19-20-14-13-18-25-20/h20H,2-19H2,1H3 |
| InChIKey | GSNMVRAKNCUOGL-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C22H40O5 |
| Exact Mass | 384.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16LoSBffmad |
|---|---|
| Name | Sebacic acid, tetrahydrofurfuryl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.287574383 u |
| Formula | C22H40O5 |
| InChI | InChI=1S/C22H40O5/c1-2-3-4-9-12-17-26-21(23)15-10-7-5-6-8-11-16-22(24)27-19-20-14-13-18-25-20/h20H,2-19H2,1H3 |
| InChIKey | GSNMVRAKNCUOGL-UHFFFAOYSA-N |
| Molecular Weight | 384.557 g/mol |
| SMILES | C1(CCCO1)COC(CCCCCCCCC(OCCCCCCC)=O)=O |