| SpectraBase Compound ID | 7FOwAp3pKYM |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-3-4-5-6-7-8-9-10-15-25-20(22)18-11-13-19(14-12-18)21(23)26-17-16-24-2/h11-14H,3-10,15-17H2,1-2H3 |
| InChIKey | KUAJSXZUKJKXHD-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 | 2TTIeWkjcGM |
|---|---|
| Name | Terephthalic acid, decyl 2-methoxyethyl 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/c1-3-4-5-6-7-8-9-10-15-25-20(22)18-11-13-19(14-12-18)21(23)26-17-16-24-2/h11-14H,3-10,15-17H2,1-2H3 |
| InChIKey | KUAJSXZUKJKXHD-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCCCCCCC)=O)C(OCCOC)=O |