| SpectraBase Compound ID | ENnHacmLIv |
|---|---|
| InChI | InChI=1S/C16H16O2/c1-3-13-8-10-14(11-9-13)16(17)18-15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3 |
| InChIKey | BTDCHMWBDGIYDH-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 | A8veaMKl3ar |
|---|---|
| Name | 4-Ethylbenzoic acid, 2-methylphenyl 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/c1-3-13-8-10-14(11-9-13)16(17)18-15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3 |
| InChIKey | BTDCHMWBDGIYDH-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | C1(=CC=CC=C1C)OC(=O)C1=CC=C(CC)C=C1 |