| SpectraBase Compound ID | 2x1bF2TyekF |
|---|---|
| InChI | InChI=1S/C26H46O4/c1-3-5-6-7-8-9-10-11-14-17-20-24-30-26(28)22-19-16-13-12-15-18-21-25(27)29-23-4-2/h3-16,18-19,21-24H2,1-2H3 |
| InChIKey | CVVALNNFBXPSNZ-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 | 6adChxPteVe |
|---|---|
| Name | Sebacic acid, propyl tridec-2-ynyl 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/c1-3-5-6-7-8-9-10-11-14-17-20-24-30-26(28)22-19-16-13-12-15-18-21-25(27)29-23-4-2/h3-16,18-19,21-24H2,1-2H3 |
| InChIKey | CVVALNNFBXPSNZ-UHFFFAOYSA-N |
| Molecular Weight | 422.650 g/mol |
| SMILES | C(CCC#CCOC(CCCCCCCCC(OCCC)=O)=O)CCCCCCC |