| SpectraBase Compound ID | 9L5k9Xh3cG5 |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-4-5-6-7-8-9-10-13-25-20(22)15-24-16-21(23)26-19-14-17(2)11-12-18(19)3/h11-12,14H,4-10,13,15-16H2,1-3H3 |
| InChIKey | VVWURGOBJXHKLP-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C21H32O5 |
| Exact Mass | 364.224974 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 | 6XyTkBaYzmZ |
|---|---|
| Name | Diglycolic acid, 2,5-dimethylphenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.224974125 u |
| Formula | C21H32O5 |
| InChI | InChI=1S/C21H32O5/c1-4-5-6-7-8-9-10-13-25-20(22)15-24-16-21(23)26-19-14-17(2)11-12-18(19)3/h11-12,14H,4-10,13,15-16H2,1-3H3 |
| InChIKey | VVWURGOBJXHKLP-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCC)(=O)OC1=C(C=CC(=C1)C)C |