| SpectraBase Compound ID | KAeRCrBFkUc |
|---|---|
| InChI | InChI=1S/C28H50O4/c1-3-5-7-9-11-13-15-17-19-21-25-31-27(29)23-24-28(30)32-26-22-20-18-16-14-12-10-8-6-4-2/h3-5,7,9-26H2,1-2H3 |
| InChIKey | QVZDLXNDCQBSQS-UHFFFAOYSA-N |
| Mol Weight | 450.7 g/mol |
| Molecular Formula | C28H50O4 |
| Exact Mass | 450.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cp3qw9te4X1 |
|---|---|
| Name | Succinic acid, dodec-9-yn-1-yl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.370910086 u |
| Formula | C28H50O4 |
| InChI | InChI=1S/C28H50O4/c1-3-5-7-9-11-13-15-17-19-21-25-31-27(29)23-24-28(30)32-26-22-20-18-16-14-12-10-8-6-4-2/h3-5,7,9-26H2,1-2H3 |
| InChIKey | QVZDLXNDCQBSQS-UHFFFAOYSA-N |
| Molecular Weight | 450.704 g/mol |
| SMILES | CCCCCCCCCCCCOC(CCC(OCCCCCCCCC#CCC)=O)=O |