| SpectraBase Compound ID | EptE9jBJ8Q2 |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-2-3-4-5-6-7-11-15-25-20(22)17-24-18-21(23)26-16-14-19-12-9-8-10-13-19/h8-10,12-13H,2-7,11,14-18H2,1H3 |
| InChIKey | UOHCEMQIRXMTGD-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 | FlVMbcjtRpZ |
|---|---|
| Name | Diglycolic acid, nonyl phenethyl 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/c1-2-3-4-5-6-7-11-15-25-20(22)17-24-18-21(23)26-16-14-19-12-9-8-10-13-19/h8-10,12-13H,2-7,11,14-18H2,1H3 |
| InChIKey | UOHCEMQIRXMTGD-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCC)(=O)OCCC1=CC=CC=C1 |