| SpectraBase Compound ID | 5GQuzFxe3Qh |
|---|---|
| InChI | InChI=1S/C15H18Cl2O4/c1-15(2,3)9-20-12(18)7-8-13(19)21-11-6-4-5-10(16)14(11)17/h4-6H,7-9H2,1-3H3 |
| InChIKey | KIAUQVRRYIUIEZ-UHFFFAOYSA-N |
| Mol Weight | 333.21 g/mol |
| Molecular Formula | C15H18Cl2O4 |
| Exact Mass | 332.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9S7Rdifi1UL |
|---|---|
| Name | Succinic acid, 2,3-dichlorophenyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.058214456 u |
| Formula | C15H18Cl2O4 |
| InChI | InChI=1S/C15H18Cl2O4/c1-15(2,3)9-20-12(18)7-8-13(19)21-11-6-4-5-10(16)14(11)17/h4-6H,7-9H2,1-3H3 |
| InChIKey | KIAUQVRRYIUIEZ-UHFFFAOYSA-N |
| Molecular Weight | 333.211 g/mol |
| SMILES | C(CC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OCC(C)(C)C)=O |