| SpectraBase Compound ID | L4rV903Re1g |
|---|---|
| InChI | InChI=1S/C15H14Cl2O4/c1-3-10(2)20-13(18)8-5-9-14(19)21-15-11(16)6-4-7-12(15)17/h1,4,6-7,10H,5,8-9H2,2H3 |
| InChIKey | QVRXLWSZMXAFFR-UHFFFAOYSA-N |
| Mol Weight | 329.18 g/mol |
| Molecular Formula | C15H14Cl2O4 |
| Exact Mass | 328.026914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BywWEx4T8Kn |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 2,6-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.026914327 u |
| Formula | C15H14Cl2O4 |
| InChI | InChI=1S/C15H14Cl2O4/c1-3-10(2)20-13(18)8-5-9-14(19)21-15-11(16)6-4-7-12(15)17/h1,4,6-7,10H,5,8-9H2,2H3 |
| InChIKey | QVRXLWSZMXAFFR-UHFFFAOYSA-N |
| Molecular Weight | 329.179 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC1=C(C=CC=C1Cl)Cl)=O |