| SpectraBase Compound ID | 14uJ7JcQnQ7 |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-4-6-13-16-22-18(20)14-11-9-7-8-10-12-15-19(21)23-17(3)5-2/h2,17H,4,6-16H2,1,3H3 |
| InChIKey | LMPOTNXOFUMTCJ-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bhsq1BIM3NG |
|---|---|
| Name | Sebacic acid, but-3-yn-2-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-4-6-13-16-22-18(20)14-11-9-7-8-10-12-15-19(21)23-17(3)5-2/h2,17H,4,6-16H2,1,3H3 |
| InChIKey | LMPOTNXOFUMTCJ-UHFFFAOYSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCC)=O)=O)(C#C)C |