| SpectraBase Compound ID | 4EiR7Dc6O1n |
|---|---|
| InChI | InChI=1S/C24H42O4/c1-4-7-8-9-10-11-12-13-14-15-16-21-27-23(25)19-20-24(26)28-22(17-5-2)18-6-3/h22H,4-14,17-21H2,1-3H3 |
| InChIKey | LUNABNIPHZYRDK-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 | DkEJIandBnZ |
|---|---|
| Name | Succinic acid, tridec-2-yn-1-yl 4-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/c1-4-7-8-9-10-11-12-13-14-15-16-21-27-23(25)19-20-24(26)28-22(17-5-2)18-6-3/h22H,4-14,17-21H2,1-3H3 |
| InChIKey | LUNABNIPHZYRDK-UHFFFAOYSA-N |
| Molecular Weight | 394.596 g/mol |
| SMILES | C(CC(OCC#CCCCCCCCCCC)=O)C(OC(CCC)CCC)=O |