| SpectraBase Compound ID | Gys6wKZ0c8W |
|---|---|
| InChI | InChI=1S/C16H17ClO4/c1-4-12(3)20-15(18)6-5-7-16(19)21-14-10-11(2)8-9-13(14)17/h1,8-10,12H,5-7H2,2-3H3 |
| InChIKey | FHMCLXANRRHSST-UHFFFAOYSA-N |
| Mol Weight | 308.76 g/mol |
| Molecular Formula | C16H17ClO4 |
| Exact Mass | 308.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKPhHtqSm8T |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 2-chloro-5-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.081536723 u |
| Formula | C16H17ClO4 |
| InChI | InChI=1S/C16H17ClO4/c1-4-12(3)20-15(18)6-5-7-16(19)21-14-10-11(2)8-9-13(14)17/h1,8-10,12H,5-7H2,2-3H3 |
| InChIKey | FHMCLXANRRHSST-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC1=CC(C)=CC=C1Cl)=O |