| SpectraBase Compound ID | fPSxsrFtzG |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-3-14-5-7-16(8-6-14)13-20-18(19)17-11-9-15(4-2)10-12-17/h5-12H,3-4,13H2,1-2H3 |
| InChIKey | XUFMFQISFCHVKV-UHFFFAOYSA-N |
| Mol Weight | 268.36 g/mol |
| Molecular Formula | C18H20O2 |
| Exact Mass | 268.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9kVhfI3TOlw |
|---|---|
| Name | (4-Ethylphenyl)methyl 4-ethyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.146329882 u |
| Formula | C18H20O2 |
| InChI | InChI=1S/C18H20O2/c1-3-14-5-7-16(8-6-14)13-20-18(19)17-11-9-15(4-2)10-12-17/h5-12H,3-4,13H2,1-2H3 |
| InChIKey | XUFMFQISFCHVKV-UHFFFAOYSA-N |
| SMILES | C1(C(OCC=2C=CC(=CC2)CC)=O)=CC=C(C=C1)CC |