| SpectraBase Compound ID | GcQ8AkTlOgh |
|---|---|
| InChI | InChI=1S/C16H16O2/c1-13-7-9-15(10-8-13)16(17)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3 |
| InChIKey | WSUBKOQJRDLGER-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 | BrF9Ot1Okh2 |
|---|---|
| Name | p-Toluic acid, 2-phenylethyl 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/c1-13-7-9-15(10-8-13)16(17)18-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3 |
| InChIKey | WSUBKOQJRDLGER-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | C1=CC=CC=C1CCOC(C1=CC=C(C=C1)C)=O |