| SpectraBase Compound ID | 2elZmzefRH1 |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-4-6-7-8-9-12-15-18-22-28-24(26)20-16-13-10-11-14-17-21-25(27)29-23(3)19-5-2/h5,23H,2,4,6-22H2,1,3H3 |
| InChIKey | GZGBCGBMLNAHMY-UHFFFAOYSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C25H46O4 |
| Exact Mass | 410.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ig6gmcocWVN |
|---|---|
| Name | Sebacic acid, decyl pent-4-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.339609957 u |
| Formula | C25H46O4 |
| InChI | InChI=1S/C25H46O4/c1-4-6-7-8-9-12-15-18-22-28-24(26)20-16-13-10-11-14-17-21-25(27)29-23(3)19-5-2/h5,23H,2,4,6-22H2,1,3H3 |
| InChIKey | GZGBCGBMLNAHMY-UHFFFAOYSA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | C(CCC(OC(C)CC=C)=O)CCCCCC(OCCCCCCCCCC)=O |