| SpectraBase Compound ID | 60tIo3VhBUJ |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-4-6-7-8-13-16-19-25-21(23)17-14-11-9-10-12-15-18-22(24)26-20(3)5-2/h2,20H,4,6-19H2,1,3H3 |
| InChIKey | CVJWVMVFLQGXEN-UHFFFAOYSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GOI2ehnEugZ |
|---|---|
| Name | Sebacic acid, but-3-yn-2-yl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-4-6-7-8-13-16-19-25-21(23)17-14-11-9-10-12-15-18-22(24)26-20(3)5-2/h2,20H,4,6-19H2,1,3H3 |
| InChIKey | CVJWVMVFLQGXEN-UHFFFAOYSA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCCCC)=O)=O)(C#C)C |