![Ethyl 2-[(4-chlorophenyl)methyl]-3-oxobutanoate](/api/spectrum/6ZiccuoN9Vz/structure.png?h=300&w=458 "Ethyl 2-[(4-chlorophenyl)methyl]-3-oxobutanoate")
| SpectraBase Compound ID | 39BbpcgiJ2r |
|---|---|
| InChI | InChI=1S/C13H15ClO3/c1-3-17-13(16)12(9(2)15)8-10-4-6-11(14)7-5-10/h4-7,12H,3,8H2,1-2H3 |
| InChIKey | HQZNZKQSSZWNEB-UHFFFAOYSA-N |
| Mol Weight | 254.71 g/mol |
| Molecular Formula | C13H15ClO3 |
| Exact Mass | 254.070972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZiccuoN9Vz |
|---|---|
| Name | Ethyl 2-[(4-chlorophenyl)methyl]-3-oxobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.070972040 u |
| Formula | C13H15ClO3 |
| InChI | InChI=1S/C13H15ClO3/c1-3-17-13(16)12(9(2)15)8-10-4-6-11(14)7-5-10/h4-7,12H,3,8H2,1-2H3 |
| InChIKey | HQZNZKQSSZWNEB-UHFFFAOYSA-N |
| Molecular Weight | 254.713 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)CC(C(C)=O)C(OCC)=O |