| SpectraBase Compound ID | FByIVtxaZL2 |
|---|---|
| InChI | InChI=1S/C21H24O5/c1-4-5-14-24-20(22)16-10-12-17(13-11-16)21(23)26-19-9-7-6-8-18(19)25-15(2)3/h6-13,15H,4-5,14H2,1-3H3 |
| InChIKey | CTYGYUBFNHRKBO-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 | 3muNhwhm5dA |
|---|---|
| Name | Terephthalic acid, butyl 2-isopropoxyphenyl 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/c1-4-5-14-24-20(22)16-10-12-17(13-11-16)21(23)26-19-9-7-6-8-18(19)25-15(2)3/h6-13,15H,4-5,14H2,1-3H3 |
| InChIKey | CTYGYUBFNHRKBO-UHFFFAOYSA-N |
| Molecular Weight | 356.418 g/mol |
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)C(=O)OC1=CC=CC=C1OC(C)C |