| SpectraBase Compound ID | 9KkZ8x4Djue |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-5-6-7-8-13-21-17(19)15-9-11-16(12-10-15)18(20)22-14(2)3/h9-12,14H,4-8,13H2,1-3H3 |
| InChIKey | MKGBQLZBKFJPTE-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 | io7V5Folhl |
|---|---|
| Name | Terephthalic acid, heptyl isopropyl 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/c1-4-5-6-7-8-13-21-17(19)15-9-11-16(12-10-15)18(20)22-14(2)3/h9-12,14H,4-8,13H2,1-3H3 |
| InChIKey | MKGBQLZBKFJPTE-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCC)=O)C(OC(C)C)=O |