| SpectraBase Compound ID | LsknVvivGOA |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-7-13-21-17(19)14-9-11-15(12-10-14)18(20)22-16(6-3)8-5-2/h9-12,16H,4-8,13H2,1-3H3 |
| InChIKey | UUBDDOPHNNBMPV-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 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 | BWHaE6q4z9e |
|---|---|
| Name | Terephthalic acid, butyl 3-hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-4-7-13-21-17(19)14-9-11-15(12-10-14)18(20)22-16(6-3)8-5-2/h9-12,16H,4-8,13H2,1-3H3 |
| InChIKey | UUBDDOPHNNBMPV-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCC)=O)C(OC(CCC)CC)=O |