| SpectraBase Compound ID | 6b9ytxPVxWe |
|---|---|
| InChI | InChI=1S/C16H16O2/c1-3-13-7-5-9-15(11-13)18-16(17)14-8-4-6-12(2)10-14/h4-11H,3H2,1-2H3 |
| InChIKey | IDBWEZVXLJLXGY-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C16H16O2 |
| Exact Mass | 240.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HEdWN57TUxl |
|---|---|
| Name | Benzoic acid, 3-methyl-, 3-ethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.115029753 u |
| Formula | C16H16O2 |
| InChI | InChI=1S/C16H16O2/c1-3-13-7-5-9-15(11-13)18-16(17)14-8-4-6-12(2)10-14/h4-11H,3H2,1-2H3 |
| InChIKey | IDBWEZVXLJLXGY-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | C1=CC=C(C=C1C)C(=O)OC1=CC=CC(CC)=C1 |