| SpectraBase Compound ID | BNdY6KY0G4 |
|---|---|
| InChI | InChI=1S/C17H22Cl2O4/c1-2-3-4-5-6-9-22-16(20)7-8-17(21)23-15-11-13(18)10-14(19)12-15/h10-12H,2-9H2,1H3 |
| InChIKey | HJVKPOCPRXIFDN-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 | AO0VoKiqP1Z |
|---|---|
| Name | Succinic acid, 3,5-dichlorophenyl heptyl 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/c1-2-3-4-5-6-9-22-16(20)7-8-17(21)23-15-11-13(18)10-14(19)12-15/h10-12H,2-9H2,1H3 |
| InChIKey | HJVKPOCPRXIFDN-UHFFFAOYSA-N |
| Molecular Weight | 361.265 g/mol |
| SMILES | C(C(OC1=CC(=CC(=C1)Cl)Cl)=O)CC(OCCCCCCC)=O |