| SpectraBase Compound ID | AHM3BzVfsGP |
|---|---|
| InChI | InChI=1S/C31H52O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-34-30(32)26-25-27-31(33)35-29-24-22-20-18-16-14-12-10-8-6-4-2/h3-20,25-29H2,1-2H3 |
| InChIKey | WJYYNLNKYUALCD-UHFFFAOYSA-N |
| Mol Weight | 488.8 g/mol |
| Molecular Formula | C31H52O4 |
| Exact Mass | 488.38656 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 | LJiyEpCjUZf |
|---|---|
| Name | Glutaric acid, di(tridec-2-ynyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 488.386560150 u |
| Formula | C31H52O4 |
| InChI | InChI=1S/C31H52O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-34-30(32)26-25-27-31(33)35-29-24-22-20-18-16-14-12-10-8-6-4-2/h3-20,25-29H2,1-2H3 |
| InChIKey | WJYYNLNKYUALCD-UHFFFAOYSA-N |
| Molecular Weight | 488.753 g/mol |
| SMILES | CCCCCCCCCCC#CCOC(CCCC(OCC#CCCCCCCCCCC)=O)=O |