| SpectraBase Compound ID | KCw0aKwppbd |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-5-16(4)22-18(20)13-11-9-7-6-8-10-12-17(19)21-14-15(2)3/h1,15-16H,6-14H2,2-4H3 |
| InChIKey | VJGGKCSEEFNQRZ-UHFFFAOYSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4b4ezjnpkDL |
|---|---|
| Name | Sebacic acid, but-3-yn-2-yl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-5-16(4)22-18(20)13-11-9-7-6-8-10-12-17(19)21-14-15(2)3/h1,15-16H,6-14H2,2-4H3 |
| InChIKey | VJGGKCSEEFNQRZ-UHFFFAOYSA-N |
| SMILES | C(OC(CCCCCCCCC(OCC(C)C)=O)=O)(C#C)C |