| SpectraBase Compound ID | BWcbDzUBYjs |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-3-5-7-9-15-23-19(21)17-12-10-16(11-13-17)18(20)22-14-8-6-4-2/h10-13H,3-9,14-15H2,1-2H3 |
| InChIKey | NRDSQSBRIVISGB-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 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 | FSZeZDy2zqB |
|---|---|
| Name | Terephthalic acid, hexyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-3-5-7-9-15-23-19(21)17-12-10-16(11-13-17)18(20)22-14-8-6-4-2/h10-13H,3-9,14-15H2,1-2H3 |
| InChIKey | NRDSQSBRIVISGB-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCCC |