| SpectraBase Compound ID | KgFBwgtEUrU |
|---|---|
| InChI | InChI=1S/C19H26Cl2O4/c1-2-14-24-17(22)12-7-5-3-4-6-8-13-18(23)25-19-15(20)10-9-11-16(19)21/h9-11H,2-8,12-14H2,1H3 |
| InChIKey | HZZSERJVAAQNOD-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 | 2mjcTBcbwZD |
|---|---|
| Name | Sebacic acid, 2,6-dichlorophenyl propyl 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/c1-2-14-24-17(22)12-7-5-3-4-6-8-13-18(23)25-19-15(20)10-9-11-16(19)21/h9-11H,2-8,12-14H2,1H3 |
| InChIKey | HZZSERJVAAQNOD-UHFFFAOYSA-N |
| Molecular Weight | 389.319 g/mol |
| SMILES | C(CCCCCCC(OC1=C(C=CC=C1Cl)Cl)=O)CC(OCCC)=O |