| SpectraBase Compound ID | Hp98e1YpkH7 |
|---|---|
| InChI | InChI=1S/C15H17ClO4/c1-3-11(2)19-14(17)8-5-9-15(18)20-13-7-4-6-12(16)10-13/h3-4,6-7,10-11H,1,5,8-9H2,2H3 |
| InChIKey | AKESMPCJYGAJAN-UHFFFAOYSA-N |
| Mol Weight | 296.75 g/mol |
| Molecular Formula | C15H17ClO4 |
| Exact Mass | 296.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DgaUomeEsTm |
|---|---|
| Name | Glutaric acid, but-3-en-2-yl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.081536723 u |
| Formula | C15H17ClO4 |
| InChI | InChI=1S/C15H17ClO4/c1-3-11(2)19-14(17)8-5-9-15(18)20-13-7-4-6-12(16)10-13/h3-4,6-7,10-11H,1,5,8-9H2,2H3 |
| InChIKey | AKESMPCJYGAJAN-UHFFFAOYSA-N |
| Molecular Weight | 296.750 g/mol |
| SMILES | C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC(C)C=C)=O |