| SpectraBase Compound ID | IjKKsRJqtsh |
|---|---|
| InChI | InChI=1S/C26H46O4/c1-3-5-7-9-11-13-14-16-18-20-24-30-26(28)22-21-25(27)29-23-19-17-15-12-10-8-6-4-2/h3-4,6,8-24H2,1-2H3 |
| InChIKey | BHERLGRGLLMSCS-UHFFFAOYSA-N |
| Mol Weight | 422.7 g/mol |
| Molecular Formula | C26H46O4 |
| Exact Mass | 422.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Kq4SreOhePz |
|---|---|
| Name | Succinic acid, decyl 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/c1-3-5-7-9-11-13-14-16-18-20-24-30-26(28)22-21-25(27)29-23-19-17-15-12-10-8-6-4-2/h3-4,6,8-24H2,1-2H3 |
| InChIKey | BHERLGRGLLMSCS-UHFFFAOYSA-N |
| Molecular Weight | 422.650 g/mol |
| SMILES | C(OCCCCCCCCC#CCC)(CCC(OCCCCCCCCCC)=O)=O |