| SpectraBase Compound ID | Bsx66EfEWxu |
|---|---|
| InChI | InChI=1S/C23H36O4/c1-27-23(26)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22(24)25/h6-21H2,1H3,(H,24,25) |
| InChIKey | GYUOASJGXBTBIS-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C23H36O4 |
| Exact Mass | 376.26136 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 | IUiQVymM8B1 |
|---|---|
| Name | 10,12-Docosadiynedioic acid, monomethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.261359635 u |
| Formula | C23H36O4 |
| InChI | InChI=1S/C23H36O4/c1-27-23(26)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22(24)25/h6-21H2,1H3,(H,24,25) |
| InChIKey | GYUOASJGXBTBIS-UHFFFAOYSA-N |
| Molecular Weight | 376.537 g/mol |
| SMILES | COC(=O)CCCCCCCCC#CC#CCCCCCCCCC(O)=O |