| SpectraBase Compound ID | 3ioP87u1mzi |
|---|---|
| InChI | InChI=1S/C18H18O3/c1-3-21-18(20)13(2)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3 |
| InChIKey | CQSMNXCTDMLMLM-UHFFFAOYSA-N |
| Mol Weight | 282.34 g/mol |
| Molecular Formula | C18H18O3 |
| Exact Mass | 282.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7JlbhshTnzc |
|---|---|
| Name | 2-(3-Benzoylphenyl)propanoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.125594437 u |
| Formula | C18H18O3 |
| InChI | InChI=1S/C18H18O3/c1-3-21-18(20)13(2)15-10-7-11-16(12-15)17(19)14-8-5-4-6-9-14/h4-13H,3H2,1-2H3 |
| InChIKey | CQSMNXCTDMLMLM-UHFFFAOYSA-N |
| SMILES | C(C=1C=C(C(C(=O)OCC)C)C=CC1)(=O)C=1C=CC=CC1 |