| SpectraBase Compound ID | DkOqNfaOaC5 |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-4-21-17(19)14-6-8-15(9-7-14)18(20)22-16-10-5-12(2)13(3)11-16/h5-11H,4H2,1-3H3 |
| InChIKey | NXOTZGVLXREBSF-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BMbTxPNyzqG |
|---|---|
| Name | Terephthalic acid, 3,4-dimethylphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-4-21-17(19)14-6-8-15(9-7-14)18(20)22-16-10-5-12(2)13(3)11-16/h5-11H,4H2,1-3H3 |
| InChIKey | NXOTZGVLXREBSF-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C(OCC)=O)C(OC1=CC=C(C(C)=C1)C)=O |