| SpectraBase Compound ID | 13KR62ix7sM |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-3-5-7-9-15-23-19(21)17-11-13-18(14-12-17)20(22)24-16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3 |
| InChIKey | MLIPQTRXLNTCRS-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5NzRC5GK3mC |
|---|---|
| Name | 1,4-Benzenedicarboxylic acid, dihexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-3-5-7-9-15-23-19(21)17-11-13-18(14-12-17)20(22)24-16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3 |
| InChIKey | MLIPQTRXLNTCRS-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCCCCCC)=O)C(OCCCCCC)=O |