| SpectraBase Compound ID | 4csgQ0jWhoe |
|---|---|
| InChI | InChI=1S/C24H42O4/c1-4-6-7-8-9-12-15-18-21-27-23(25)19-16-13-10-11-14-17-20-24(26)28-22(3)5-2/h2,22H,4,6-21H2,1,3H3 |
| InChIKey | GPFHGULGBDHUFM-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 | DiP8VlLh9h9 |
|---|---|
| Name | Sebacic acid, but-3-yn-2-yl decyl 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/c1-4-6-7-8-9-12-15-18-21-27-23(25)19-16-13-10-11-14-17-20-24(26)28-22(3)5-2/h2,22H,4,6-21H2,1,3H3 |
| InChIKey | GPFHGULGBDHUFM-UHFFFAOYSA-N |
| Molecular Weight | 394.596 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCCCCCC)=O)=O)(C#C)C |