| SpectraBase Compound ID | AsNz1MwpfMW |
|---|---|
| InChI | InChI=1S/C18H23Cl3O4/c19-12-5-3-1-2-4-6-13-24-16(22)10-11-17(23)25-18-14(20)8-7-9-15(18)21/h7-9H,1-6,10-13H2 |
| InChIKey | ZKZSWIHLWWDWKB-UHFFFAOYSA-N |
| Mol Weight | 409.74 g/mol |
| Molecular Formula | C18H23Cl3O4 |
| Exact Mass | 408.066192 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 728fm839K8i |
|---|---|
| Name | Succinic acid, 8-chlorooctyl 2,6-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.066192317 u |
| Formula | C18H23Cl3O4 |
| InChI | InChI=1S/C18H23Cl3O4/c19-12-5-3-1-2-4-6-13-24-16(22)10-11-17(23)25-18-14(20)8-7-9-15(18)21/h7-9H,1-6,10-13H2 |
| InChIKey | ZKZSWIHLWWDWKB-UHFFFAOYSA-N |
| Molecular Weight | 409.737 g/mol |
| SMILES | C(CC(OCCCCCCCCCl)=O)C(OC1=C(C=CC=C1Cl)Cl)=O |