| SpectraBase Compound ID | 21PKwezVUjv |
|---|---|
| InChI | InChI=1S/C21H24O6/c1-4-5-6-14-26-20(22)15-10-12-16(13-11-15)21(23)27-19-17(24-2)8-7-9-18(19)25-3/h7-13H,4-6,14H2,1-3H3 |
| InChIKey | CILSPHUMFAHECP-UHFFFAOYSA-N |
| Mol Weight | 372.42 g/mol |
| Molecular Formula | C21H24O6 |
| Exact Mass | 372.157288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EiAk5eTEM5W |
|---|---|
| Name | Terephthalic acid, 2,6-dimethoxyphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.157288487 u |
| Formula | C21H24O6 |
| InChI | InChI=1S/C21H24O6/c1-4-5-6-14-26-20(22)15-10-12-16(13-11-15)21(23)27-19-17(24-2)8-7-9-18(19)25-3/h7-13H,4-6,14H2,1-3H3 |
| InChIKey | CILSPHUMFAHECP-UHFFFAOYSA-N |
| Molecular Weight | 372.417 g/mol |
| SMILES | CCCCCOC(C1=CC=C(C(OC2=C(C=CC=C2OC)OC)=O)C=C1)=O |