| SpectraBase Compound ID | KwADOTOiltf |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-4-14(10(2)3)22-16(20)6-5-15(19)21-13-8-11(17)7-12(18)9-13/h7-10,14H,4-6H2,1-3H3 |
| InChIKey | BZTMVORHEXOIIG-UHFFFAOYSA-N |
| Mol Weight | 347.24 g/mol |
| Molecular Formula | C16H20Cl2O4 |
| Exact Mass | 346.073865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3xhQgZk7RcW |
|---|---|
| Name | Succinic acid, 2-methylpent-3-yl 3,5-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.073864520 u |
| Formula | C16H20Cl2O4 |
| InChI | InChI=1S/C16H20Cl2O4/c1-4-14(10(2)3)22-16(20)6-5-15(19)21-13-8-11(17)7-12(18)9-13/h7-10,14H,4-6H2,1-3H3 |
| InChIKey | BZTMVORHEXOIIG-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C(CC(OC(CC)C(C)C)=O)C(OC1=CC(=CC(=C1)Cl)Cl)=O |