| SpectraBase Compound ID | KhWAo2cQJcF |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-7-10-15(6-2)13-22-18(20)16-11-8-9-12-17(16)19(21)23-14(3)4/h8-9,11-12,14-15H,5-7,10,13H2,1-4H3 |
| InChIKey | NDQBOQJEHVQCJE-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 48tyHzX00F |
|---|---|
| Name | 1,2-Benzenedicarboxylic acid isopropyl 2-ethylhexyl 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/c1-5-7-10-15(6-2)13-22-18(20)16-11-8-9-12-17(16)19(21)23-14(3)4/h8-9,11-12,14-15H,5-7,10,13H2,1-4H3 |
| InChIKey | NDQBOQJEHVQCJE-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1(=C(C=CC=C1)C(=O)OC(C)C)C(=O)OCC(CCCC)CC |