| SpectraBase Compound ID | 6XQy8uwjL4r |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-3-5-6-7-12-22-17(19)15-8-10-16(11-9-15)18(20)23-14-13-21-4-2/h8-11H,3-7,12-14H2,1-2H3 |
| InChIKey | LXRBLDTWKHWGOG-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 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 | jchucrgu05 |
|---|---|
| Name | Terephthalic acid, 2-ethoxyethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-3-5-6-7-12-22-17(19)15-8-10-16(11-9-15)18(20)23-14-13-21-4-2/h8-11H,3-7,12-14H2,1-2H3 |
| InChIKey | LXRBLDTWKHWGOG-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCOCC |