| SpectraBase Compound ID | 7Bqqlrwm6FB |
|---|---|
| InChI | InChI=1S/C19H18O5/c1-2-3-12-23-18(21)14-8-10-15(11-9-14)19(22)24-17-7-5-4-6-16(17)13-20/h4-11,13H,2-3,12H2,1H3 |
| InChIKey | XEEKHZZGNZXZFM-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 | 3jUYRFCJruX |
|---|---|
| Name | Terephthalic acid, butyl 2-formylphenyl 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/c1-2-3-12-23-18(21)14-8-10-15(11-9-14)19(22)24-17-7-5-4-6-16(17)13-20/h4-11,13H,2-3,12H2,1H3 |
| InChIKey | XEEKHZZGNZXZFM-UHFFFAOYSA-N |
| Molecular Weight | 326.348 g/mol |
| SMILES | C1(=CC=C(C=C1)C(=O)OC1=C(C=CC=C1)C=O)C(OCCCC)=O |