| SpectraBase Compound ID | 1vabM9Ze7gK |
|---|---|
| InChI | InChI=1S/C19H36O5/c1-4-6-9-17(12-15-22-3)13-16-24-19(21)11-8-7-10-18(20)23-14-5-2/h17H,4-16H2,1-3H3 |
| InChIKey | PBHOLAFTJRPGSX-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C19H36O5 |
| Exact Mass | 344.256274 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 | 9C0kYXxdUDz |
|---|---|
| Name | Adipic acid, 3-(2-methoxyethyl)heptyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.256274254 u |
| Formula | C19H36O5 |
| InChI | InChI=1S/C19H36O5/c1-4-6-9-17(12-15-22-3)13-16-24-19(21)11-8-7-10-18(20)23-14-5-2/h17H,4-16H2,1-3H3 |
| InChIKey | PBHOLAFTJRPGSX-UHFFFAOYSA-N |
| Molecular Weight | 344.492 g/mol |
| SMILES | C(CCCCC(=O)OCCC(CCCC)CCOC)(OCCC)=O |