| SpectraBase Compound ID | LS5moDYUdnL |
|---|---|
| InChI | InChI=1S/C24H42O4/c1-4-6-8-9-10-11-12-13-14-15-17-21-27-23(25)19-20-24(26)28-22(3)18-16-7-5-2/h22H,4-14,16,18-21H2,1-3H3 |
| InChIKey | PATIDHKDRBEMCI-UHFFFAOYSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C24H42O4 |
| Exact Mass | 394.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jacg21NriHu |
|---|---|
| Name | Succinic acid, tridec-2-yn-1-yl 2-heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.308309828 u |
| Formula | C24H42O4 |
| InChI | InChI=1S/C24H42O4/c1-4-6-8-9-10-11-12-13-14-15-17-21-27-23(25)19-20-24(26)28-22(3)18-16-7-5-2/h22H,4-14,16,18-21H2,1-3H3 |
| InChIKey | PATIDHKDRBEMCI-UHFFFAOYSA-N |
| Molecular Weight | 394.596 g/mol |
| SMILES | C(CC(OCC#CCCCCCCCCCC)=O)C(OC(CCCCC)C)=O |