| SpectraBase Compound ID | K0P3z9Yvup9 |
|---|---|
| InChI | InChI=1S/C26H46O4/c1-4-6-8-10-12-13-14-15-17-19-23-29-25(27)21-22-26(28)30-24(3)20-18-16-11-9-7-5-2/h24H,4-5,7,9-23H2,1-3H3 |
| InChIKey | CYMMRODQDVMKBE-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 | LNuTtvOF2kT |
|---|---|
| Name | Succinic acid, dec-2-yl dodec-9-yn-1-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/c1-4-6-8-10-12-13-14-15-17-19-23-29-25(27)21-22-26(28)30-24(3)20-18-16-11-9-7-5-2/h24H,4-5,7,9-23H2,1-3H3 |
| InChIKey | CYMMRODQDVMKBE-UHFFFAOYSA-N |
| Molecular Weight | 422.650 g/mol |
| SMILES | C(CC(OC(CCCCCCCC)C)=O)C(OCCCCCCCCC#CCC)=O |