| SpectraBase Compound ID | C9E4iifFwIu |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-4-16-12(14)10-5-7-11(8-6-10)13(15)17-9(2)3/h5-9H,4H2,1-3H3 |
| InChIKey | XXPIUCYVBSVBPO-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQGBgx61sqE |
|---|---|
| Name | Terephthalic acid, ethyl isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-4-16-12(14)10-5-7-11(8-6-10)13(15)17-9(2)3/h5-9H,4H2,1-3H3 |
| InChIKey | XXPIUCYVBSVBPO-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C(C1=CC=C(C=C1)C(OCC)=O)(OC(C)C)=O |