| SpectraBase Compound ID | C8WKx2juy2q |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-3-5-6-7-8-9-12-15-25-20(22)18-13-10-11-14-19(18)21(23)26-17-16-24-4-2/h10-11,13-14H,3-9,12,15-17H2,1-2H3 |
| InChIKey | IKAABZRUZSDDRG-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 | LudPyyvRAnB |
|---|---|
| Name | Phthalic 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/c1-3-5-6-7-8-9-12-15-25-20(22)18-13-10-11-14-19(18)21(23)26-17-16-24-4-2/h10-11,13-14H,3-9,12,15-17H2,1-2H3 |
| InChIKey | IKAABZRUZSDDRG-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OCCCCCCCCC)=O)C(=O)OCCOCC |