| SpectraBase Compound ID | 8ftUmWTuIlo |
|---|---|
| InChI | InChI=1S/C18H13ClO3/c1-13-2-4-14(5-3-13)6-11-18(21)22-12-17(20)15-7-9-16(19)10-8-15/h2-5,7-10H,12H2,1H3 |
| InChIKey | FOAVHELASWWOEW-UHFFFAOYSA-N |
| Mol Weight | 312.75 g/mol |
| Molecular Formula | C18H13ClO3 |
| Exact Mass | 312.055322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CiwtHPqLOlH |
|---|---|
| Name | 2-(4-Chlorophenyl)-2-oxoethyl 3-p-tolylpropiolate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.055321976 u |
| Formula | C18H13ClO3 |
| InChI | InChI=1S/C18H13ClO3/c1-13-2-4-14(5-3-13)6-11-18(21)22-12-17(20)15-7-9-16(19)10-8-15/h2-5,7-10H,12H2,1H3 |
| InChIKey | FOAVHELASWWOEW-UHFFFAOYSA-N |
| Molecular Weight | 312.752 g/mol |
| SMILES | C(C#CC=1C=CC(=CC1)C)(=O)OCC(=O)C=1C=CC(=CC1)Cl |