| SpectraBase Compound ID | KYbvkNU1FHQ |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-10(2)9-11(3)21-14(19)7-8-15(20)22-13-6-4-5-12(17)16(13)18/h4-6,10-11H,7-9H2,1-3H3 |
| InChIKey | YAGUWRKVPGMTAH-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 | 8duk2tu0pjN |
|---|---|
| Name | Succinic acid, 2,3-dichlorophenyl 4-methylpent-2-yl 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/c1-10(2)9-11(3)21-14(19)7-8-15(20)22-13-6-4-5-12(17)16(13)18/h4-6,10-11H,7-9H2,1-3H3 |
| InChIKey | YAGUWRKVPGMTAH-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C(CC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OC(C)CC(C)C)=O |