| SpectraBase Compound ID | Jj6PLhQdDY9 |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-5-7-16(6-2)22-18(20)15-10-8-14(9-11-15)17(19)21-12-13(3)4/h8-11,13,16H,5-7,12H2,1-4H3 |
| InChIKey | LJHRZFVFOUYUJK-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 | A3bwYHMrBNi |
|---|---|
| Name | Terephthalic acid, 3-hexyl isobutyl 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/c1-5-7-16(6-2)22-18(20)15-10-8-14(9-11-15)17(19)21-12-13(3)4/h8-11,13,16H,5-7,12H2,1-4H3 |
| InChIKey | LJHRZFVFOUYUJK-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC(C)C)=O)C(OC(CCC)CC)=O |