| SpectraBase Compound ID | 39uNDf3GGWn |
|---|---|
| InChI | InChI=1S/C19H18O5/c1-13(2)12-23-18(21)14-7-9-15(10-8-14)19(22)24-17-6-4-3-5-16(17)11-20/h3-11,13H,12H2,1-2H3 |
| InChIKey | LASOZOAPXVXSGD-UHFFFAOYSA-N |
| Mol Weight | 326.35 g/mol |
| Molecular Formula | C19H18O5 |
| Exact Mass | 326.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8XBm4xwNe21 |
|---|---|
| Name | Terephthalic acid, 2-formylphenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.115423675 u |
| Formula | C19H18O5 |
| InChI | InChI=1S/C19H18O5/c1-13(2)12-23-18(21)14-7-9-15(10-8-14)19(22)24-17-6-4-3-5-16(17)11-20/h3-11,13H,12H2,1-2H3 |
| InChIKey | LASOZOAPXVXSGD-UHFFFAOYSA-N |
| Molecular Weight | 326.348 g/mol |
| SMILES | C1=C(C=CC(=C1)C(=O)OC=1C(C=O)=CC=CC1)C(OCC(C)C)=O |