| SpectraBase Compound ID | 7iRZNaNuixk |
|---|---|
| InChI | InChI=1S/C17H22Cl2O4/c1-2-3-4-10-22-16(20)7-8-17(21)23-11-9-13-5-6-14(18)12-15(13)19/h5-6,12H,2-4,7-11H2,1H3 |
| InChIKey | YKVQHZDMYKOOTR-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 | 3dRbJ5jcb5F |
|---|---|
| Name | Succinic acid, 2,4-dichlorophenethyl pentyl 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/c1-2-3-4-10-22-16(20)7-8-17(21)23-11-9-13-5-6-14(18)12-15(13)19/h5-6,12H,2-4,7-11H2,1H3 |
| InChIKey | YKVQHZDMYKOOTR-UHFFFAOYSA-N |
| Molecular Weight | 361.265 g/mol |
| SMILES | C(CCC(OCCC1=CC=C(C=C1Cl)Cl)=O)(OCCCCC)=O |