| SpectraBase Compound ID | CMN0KFu4An0 |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-13(2)5-4-10-21-16(18)14-6-8-15(9-7-14)17(19)22-12-11-20-3/h6-9,13H,4-5,10-12H2,1-3H3 |
| InChIKey | PAIIEXYVMIDCJG-UHFFFAOYSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6VLdjLyQnTh |
|---|---|
| Name | Terephthalic acid, isohexyl 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.162373868 u |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-13(2)5-4-10-21-16(18)14-6-8-15(9-7-14)17(19)22-12-11-20-3/h6-9,13H,4-5,10-12H2,1-3H3 |
| InChIKey | PAIIEXYVMIDCJG-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)C(OCCCC(C)C)=O)(OCCOC)=O |