| SpectraBase Compound ID | 9LdpXeZUmqo |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-5-15(3)21-17(19)13-11-9-7-8-10-12-14-18(20)22-16(4)6-2/h1-2,15-16H,7-14H2,3-4H3 |
| InChIKey | BZAIQLWYPRLMJI-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DK7BOMnHsU3 |
|---|---|
| Name | Sebacic acid, di(but-3-yn-2-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-5-15(3)21-17(19)13-11-9-7-8-10-12-14-18(20)22-16(4)6-2/h1-2,15-16H,7-14H2,3-4H3 |
| InChIKey | BZAIQLWYPRLMJI-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(OC(CCCCCCCCC(OC(C#C)C)=O)=O)(C#C)C |