| SpectraBase Compound ID | 3ehwAiFTRbf |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-5-6-7-8-9-10-11-12-13-14-18-25-21(23)16-15-17-22(24)26-20(4)19(2)3/h19-20H,5,8-18H2,1-4H3 |
| InChIKey | AZRYTSKRSDZAJQ-UHFFFAOYSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 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 | JmNhLMfzXpp |
|---|---|
| Name | Glutaric acid, 3-methylbut-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 | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-5-6-7-8-9-10-11-12-13-14-18-25-21(23)16-15-17-22(24)26-20(4)19(2)3/h19-20H,5,8-18H2,1-4H3 |
| InChIKey | AZRYTSKRSDZAJQ-UHFFFAOYSA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OCCCCCCCCC#CCC)=O |