| SpectraBase Compound ID | HrQPZtKTYV1 |
|---|---|
| InChI | InChI=1S/C17H16O4/c1-12-3-5-13(6-4-12)11-21-17(19)15-9-7-14(8-10-15)16(18)20-2/h3-10H,11H2,1-2H3 |
| InChIKey | DOGSNXUOLYILLP-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C17H16O4 |
| Exact Mass | 284.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6olX4hfbU6h |
|---|---|
| Name | Methyl 4-methylbenzyl terephthalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.104858991 u |
| Formula | C17H16O4 |
| InChI | InChI=1S/C17H16O4/c1-12-3-5-13(6-4-12)11-21-17(19)15-9-7-14(8-10-15)16(18)20-2/h3-10H,11H2,1-2H3 |
| InChIKey | DOGSNXUOLYILLP-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)C(OC)=O)C(OCC1=CC=C(C=C1)C)=O |