| SpectraBase Compound ID | AsuwvjsMStY |
|---|---|
| InChI | InChI=1S/C21H24O5/c1-3-4-5-6-14-25-20(22)16-10-12-17(13-11-16)21(23)26-19-9-7-8-18(15-19)24-2/h7-13,15H,3-6,14H2,1-2H3 |
| InChIKey | LCDCHSQJXMYTHP-UHFFFAOYSA-N |
| Mol Weight | 356.42 g/mol |
| Molecular Formula | C21H24O5 |
| Exact Mass | 356.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3OCbiXJG48M |
|---|---|
| Name | Terephthalic acid, hexyl 3-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.162373868 u |
| Formula | C21H24O5 |
| InChI | InChI=1S/C21H24O5/c1-3-4-5-6-14-25-20(22)16-10-12-17(13-11-16)21(23)26-19-9-7-8-18(15-19)24-2/h7-13,15H,3-6,14H2,1-2H3 |
| InChIKey | LCDCHSQJXMYTHP-UHFFFAOYSA-N |
| Molecular Weight | 356.418 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCCCCCC)=O)C(OC1=CC(OC)=CC=C1)=O |