| SpectraBase Compound ID | 8hBW6RvgSuq |
|---|---|
| InChI | InChI=1S/C15H19ClO4/c1-3-9-19-14(17)5-4-6-15(18)20-13-10-11(2)7-8-12(13)16/h7-8,10H,3-6,9H2,1-2H3 |
| InChIKey | QYYHWHUMZFDAHN-UHFFFAOYSA-N |
| Mol Weight | 298.77 g/mol |
| Molecular Formula | C15H19ClO4 |
| Exact Mass | 298.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ci9N3eMjb2F |
|---|---|
| Name | Glutaric acid, 2-chloro-5-methylphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.097186788 u |
| Formula | C15H19ClO4 |
| InChI | InChI=1S/C15H19ClO4/c1-3-9-19-14(17)5-4-6-15(18)20-13-10-11(2)7-8-12(13)16/h7-8,10H,3-6,9H2,1-2H3 |
| InChIKey | QYYHWHUMZFDAHN-UHFFFAOYSA-N |
| SMILES | C1(OC(CCCC(=O)OCCC)=O)=C(C=CC(=C1)C)Cl |