| SpectraBase Compound ID | F4hQHyHc5J2 |
|---|---|
| InChI | InChI=1S/C15H17Cl3O4/c1-8(2)9(3)21-14(19)4-5-15(20)22-13-7-11(17)10(16)6-12(13)18/h6-9H,4-5H2,1-3H3 |
| InChIKey | KNBPUCOZXXGHOB-UHFFFAOYSA-N |
| Mol Weight | 367.66 g/mol |
| Molecular Formula | C15H17Cl3O4 |
| Exact Mass | 366.019242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lh6BuOU9Ek2 |
|---|---|
| Name | Succinic acid, 3-methylbut-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 | 366.019242123 u |
| Formula | C15H17Cl3O4 |
| InChI | InChI=1S/C15H17Cl3O4/c1-8(2)9(3)21-14(19)4-5-15(20)22-13-7-11(17)10(16)6-12(13)18/h6-9H,4-5H2,1-3H3 |
| InChIKey | KNBPUCOZXXGHOB-UHFFFAOYSA-N |
| Molecular Weight | 367.656 g/mol |
| SMILES | C(CC(OC(C(C)C)C)=O)C(OC=1C(=CC(=C(C1)Cl)Cl)Cl)=O |