| SpectraBase Compound ID | GtVtTRxaSOZ |
|---|---|
| InChI | InChI=1S/C17H22Cl2O4/c1-2-3-4-5-10-22-16(20)8-9-17(21)23-12-13-6-7-14(18)11-15(13)19/h6-7,11H,2-5,8-10,12H2,1H3 |
| InChIKey | XHHMHWDFXKDAAK-UHFFFAOYSA-N |
| Mol Weight | 361.27 g/mol |
| Molecular Formula | C17H22Cl2O4 |
| Exact Mass | 360.089515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LPaISUgOCI1 |
|---|---|
| Name | Succinic acid, 2,4-dichlorobenzyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.089514584 u |
| Formula | C17H22Cl2O4 |
| InChI | InChI=1S/C17H22Cl2O4/c1-2-3-4-5-10-22-16(20)8-9-17(21)23-12-13-6-7-14(18)11-15(13)19/h6-7,11H,2-5,8-10,12H2,1H3 |
| InChIKey | XHHMHWDFXKDAAK-UHFFFAOYSA-N |
| Molecular Weight | 361.265 g/mol |
| SMILES | C(CCC(OCC1=CC=C(C=C1Cl)Cl)=O)(OCCCCCC)=O |