| SpectraBase Compound ID | KeRAktxyGQh |
|---|---|
| InChI | InChI=1S/C14H11Cl3O4/c1-3-8(2)20-13(18)4-5-14(19)21-12-7-10(16)9(15)6-11(12)17/h1,6-8H,4-5H2,2H3 |
| InChIKey | ZIEOGYZCTHAYCU-UHFFFAOYSA-N |
| Mol Weight | 349.6 g/mol |
| Molecular Formula | C14H11Cl3O4 |
| Exact Mass | 347.972292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ZcMiNu61db |
|---|---|
| Name | Succinic acid, but-3-yn-2-yl 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.972291930 u |
| Formula | C14H11Cl3O4 |
| InChI | InChI=1S/C14H11Cl3O4/c1-3-8(2)20-13(18)4-5-14(19)21-12-7-10(16)9(15)6-11(12)17/h1,6-8H,4-5H2,2H3 |
| InChIKey | ZIEOGYZCTHAYCU-UHFFFAOYSA-N |
| Molecular Weight | 349.597 g/mol |
| SMILES | C(CC(OC(C#C)C)=O)C(OC=1C(=CC(=C(C1)Cl)Cl)Cl)=O |