| SpectraBase Compound ID | Gad6nglMcA4 |
|---|---|
| InChI | InChI=1S/C19H26Cl2O4/c1-4-7-8-9-13-24-17(22)19(5-2,6-3)18(23)25-15-12-10-11-14(20)16(15)21/h10-12H,4-9,13H2,1-3H3 |
| InChIKey | GGUKEIOIKSYWAE-UHFFFAOYSA-N |
| Mol Weight | 389.32 g/mol |
| Molecular Formula | C19H26Cl2O4 |
| Exact Mass | 388.120815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39MvmLZPPS6 |
|---|---|
| Name | Diethylmalonic acid, 2,3-dichlorophenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.120814713 u |
| Formula | C19H26Cl2O4 |
| InChI | InChI=1S/C19H26Cl2O4/c1-4-7-8-9-13-24-17(22)19(5-2,6-3)18(23)25-15-12-10-11-14(20)16(15)21/h10-12H,4-9,13H2,1-3H3 |
| InChIKey | GGUKEIOIKSYWAE-UHFFFAOYSA-N |
| Molecular Weight | 389.319 g/mol |
| SMILES | CCC(C(OCCCCCC)=O)(C(OC1=C(C(=CC=C1)Cl)Cl)=O)CC |