| SpectraBase Compound ID | IqTEB3FfqzI |
|---|---|
| InChI | InChI=1S/C29H48O4/c1-3-5-7-9-11-13-15-17-19-21-26-32-28(30)24-23-25-29(31)33-27-22-20-18-16-14-12-10-8-6-4-2/h3-4,9-27H2,1-2H3 |
| InChIKey | CUEYBQBFZWMGDC-UHFFFAOYSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C29H48O4 |
| Exact Mass | 460.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gztu1vyMFqi |
|---|---|
| Name | Glutaric acid, di(dodec-9-ynyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.355260022 u |
| Formula | C29H48O4 |
| InChI | InChI=1S/C29H48O4/c1-3-5-7-9-11-13-15-17-19-21-26-32-28(30)24-23-25-29(31)33-27-22-20-18-16-14-12-10-8-6-4-2/h3-4,9-27H2,1-2H3 |
| InChIKey | CUEYBQBFZWMGDC-UHFFFAOYSA-N |
| Molecular Weight | 460.699 g/mol |
| SMILES | C(C#CCCCCCCCCOC(CCCC(OCCCCCCCCC#CCC)=O)=O)C |