| SpectraBase Compound ID | 6CDwhtmcLCw |
|---|---|
| InChI | InChI=1S/C13H15ClO3/c1-17-13(16)12(11(15)8-5-9-14)10-6-3-2-4-7-10/h2-4,6-7,12H,5,8-9H2,1H3 |
| InChIKey | ZMYMAFYGAAJXMZ-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 | FWkSKiGagL |
|---|---|
| Name | 6-Chloro-3-oxo-2-phenylhexanoic acid methyl ester |
| 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/c1-17-13(16)12(11(15)8-5-9-14)10-6-3-2-4-7-10/h2-4,6-7,12H,5,8-9H2,1H3 |
| InChIKey | ZMYMAFYGAAJXMZ-UHFFFAOYSA-N |
| Molecular Weight | 254.713 g/mol |
| SMILES | C(C(C(CCCCl)=O)C=1C=CC=CC1)(=O)OC |