| SpectraBase Compound ID | 260wAJ3Ejg0 |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-9(2)8-17-13(15)11-6-4-10(5-7-11)12(14)16-3/h4-7,9H,8H2,1-3H3 |
| InChIKey | WBNCJBMUOHNNSW-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 | DVkwfRfGjB5 |
|---|---|
| Name | Terephthalic acid, isobutyl methyl 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/c1-9(2)8-17-13(15)11-6-4-10(5-7-11)12(14)16-3/h4-7,9H,8H2,1-3H3 |
| InChIKey | WBNCJBMUOHNNSW-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C1=CC(=CC=C1C(OC)=O)C(OCC(C)C)=O |