| SpectraBase Compound ID | Cvb20QSdcym |
|---|---|
| InChI | InChI=1S/C16H12O3/c1-2-15(17)19-14-10-8-13(9-11-14)16(18)12-6-4-3-5-7-12/h2-11H,1H2 |
| InChIKey | LTYBJDPMCPTGEE-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C16H12O3 |
| Exact Mass | 252.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8AxApABs1VD |
|---|---|
| Name | 2-Propenoic acid, 4-benzoylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.078644243 u |
| Formula | C16H12O3 |
| InChI | InChI=1S/C16H12O3/c1-2-15(17)19-14-10-8-13(9-11-14)16(18)12-6-4-3-5-7-12/h2-11H,1H2 |
| InChIKey | LTYBJDPMCPTGEE-UHFFFAOYSA-N |
| Molecular Weight | 252.269 g/mol |
| SMILES | C1(=CC=CC=C1)C(C1=CC=C(C=C1)OC(C=C)=O)=O |