| SpectraBase Compound ID | GjRON3r5liR |
|---|---|
| InChI | InChI=1S/C26H46O4/c1-4-7-8-9-10-13-16-19-23-29-25(27)21-17-14-11-12-15-18-22-26(28)30-24(6-3)20-5-2/h24H,4,6-19,21-23H2,1-3H3 |
| InChIKey | KAJFSSUIJYETGP-UHFFFAOYSA-N |
| Mol Weight | 422.7 g/mol |
| Molecular Formula | C26H46O4 |
| Exact Mass | 422.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNQMP5g65Vx |
|---|---|
| Name | Sebacic acid, decyl hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.339609957 u |
| Formula | C26H46O4 |
| InChI | InChI=1S/C26H46O4/c1-4-7-8-9-10-13-16-19-23-29-25(27)21-17-14-11-12-15-18-22-26(28)30-24(6-3)20-5-2/h24H,4,6-19,21-23H2,1-3H3 |
| InChIKey | KAJFSSUIJYETGP-UHFFFAOYSA-N |
| Molecular Weight | 422.650 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCCCCCC)=O)=O)(C#CC)CC |