| SpectraBase Compound ID | 4RCIhDTj1xg |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-7-8-12-22-18(20)16-10-9-11-17(13-16)19(21)23-14-15(5-2)6-3/h9-11,13,15H,4-8,12,14H2,1-3H3 |
| InChIKey | WFELLRXGWXMNGG-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 | DPbJqd0XOXo |
|---|---|
| Name | Isophthalic acid, 2-ethylbutyl 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/c1-4-7-8-12-22-18(20)16-10-9-11-17(13-16)19(21)23-14-15(5-2)6-3/h9-11,13,15H,4-8,12,14H2,1-3H3 |
| InChIKey | WFELLRXGWXMNGG-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1(=CC=CC(=C1)C(=O)OCCCCC)C(OCC(CC)CC)=O |