| SpectraBase Compound ID | LgEOTTW02zD |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-3-5-7-9-14-23-19(21)17-12-11-13-18(16-17)20(22)24-15-10-8-6-4-2/h11-13,16H,3-10,14-15H2,1-2H3 |
| InChIKey | FGWAPOKSKMNBEN-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 | 7RMp13gWN88 |
|---|---|
| Name | Isophthalic 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/c1-3-5-7-9-14-23-19(21)17-12-11-13-18(16-17)20(22)24-15-10-8-6-4-2/h11-13,16H,3-10,14-15H2,1-2H3 |
| InChIKey | FGWAPOKSKMNBEN-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C=1C(=CC=CC1C(OCCCCCC)=O)C(OCCCCCC)=O |