| SpectraBase Compound ID | 38rMdKzCqzb |
|---|---|
| InChI | InChI=1S/C16H15Cl3O4/c1-3-5-11(4-2)22-14(20)6-7-15(21)23-16-12(18)8-10(17)9-13(16)19/h8-9,11H,4,6-7H2,1-2H3 |
| InChIKey | UIHKBOOJCQTHMJ-UHFFFAOYSA-N |
| Mol Weight | 377.65 g/mol |
| Molecular Formula | C16H15Cl3O4 |
| Exact Mass | 376.003592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HQsqAaEkJ2M |
|---|---|
| Name | Succinic acid, hex-4-yn-3-yl 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.003592059 u |
| Formula | C16H15Cl3O4 |
| InChI | InChI=1S/C16H15Cl3O4/c1-3-5-11(4-2)22-14(20)6-7-15(21)23-16-12(18)8-10(17)9-13(16)19/h8-9,11H,4,6-7H2,1-2H3 |
| InChIKey | UIHKBOOJCQTHMJ-UHFFFAOYSA-N |
| Molecular Weight | 377.651 g/mol |
| SMILES | C(CC(OC(CC)C#CC)=O)C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O |