| SpectraBase Compound ID | 75y8SZ17YVN |
|---|---|
| InChI | InChI=1S/C11H15Cl3O4/c1-8(2)5-6-17-9(15)3-4-10(16)18-7-11(12,13)14/h5H,3-4,6-7H2,1-2H3 |
| InChIKey | QQCFQPGWUQZUAG-UHFFFAOYSA-N |
| Mol Weight | 317.6 g/mol |
| Molecular Formula | C11H15Cl3O4 |
| Exact Mass | 316.003592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hs1c1DafypA |
|---|---|
| Name | Succinic acid, 3-methylbut-2-en-1-yl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.003592059 u |
| Formula | C11H15Cl3O4 |
| InChI | InChI=1S/C11H15Cl3O4/c1-8(2)5-6-17-9(15)3-4-10(16)18-7-11(12,13)14/h5H,3-4,6-7H2,1-2H3 |
| InChIKey | QQCFQPGWUQZUAG-UHFFFAOYSA-N |
| Molecular Weight | 317.596 g/mol |
| SMILES | C(CC(OCC=C(C)C)=O)C(OCC(Cl)(Cl)Cl)=O |