| SpectraBase Compound ID | AT1GqqAY8kI |
|---|---|
| InChI | InChI=1S/C21H30O6/c1-3-4-5-6-7-8-11-14-26-20(23)15-25-16-21(24)27-19-13-10-9-12-18(19)17(2)22/h9-10,12-13H,3-8,11,14-16H2,1-2H3 |
| InChIKey | AUASJECXPJNKEA-UHFFFAOYSA-N |
| Mol Weight | 378.47 g/mol |
| Molecular Formula | C21H30O6 |
| Exact Mass | 378.204239 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 | 8CscSJ6a5E7 |
|---|---|
| Name | Diglycolic acid, 2-acetylphenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.204238680 u |
| Formula | C21H30O6 |
| InChI | InChI=1S/C21H30O6/c1-3-4-5-6-7-8-11-14-26-20(23)15-25-16-21(24)27-19-13-10-9-12-18(19)17(2)22/h9-10,12-13H,3-8,11,14-16H2,1-2H3 |
| InChIKey | AUASJECXPJNKEA-UHFFFAOYSA-N |
| Molecular Weight | 378.465 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCC)(=O)OC1=C(C=CC=C1)C(C)=O |