| SpectraBase Compound ID | 96eQMnrBiDv |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-3-5-6-7-8-9-10-14-25-20(22)18-12-11-13-19(17-18)21(23)26-16-15-24-4-2/h11-13,17H,3-10,14-16H2,1-2H3 |
| InChIKey | HQBDHOLPQDGYAZ-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C21H32O5 |
| Exact Mass | 364.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jj7PXo4SlTG |
|---|---|
| Name | Isophthalic acid, 2-ethoxyethyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.224974125 u |
| Formula | C21H32O5 |
| InChI | InChI=1S/C21H32O5/c1-3-5-6-7-8-9-10-14-25-20(22)18-12-11-13-19(17-18)21(23)26-16-15-24-4-2/h11-13,17H,3-10,14-16H2,1-2H3 |
| InChIKey | HQBDHOLPQDGYAZ-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | C(C1=CC(=CC=C1)C(OCCOCC)=O)(OCCCCCCCCC)=O |