| SpectraBase Compound ID | 5BD3Mb536BU |
|---|---|
| InChI | InChI=1S/C18H24Cl2O4/c1-2-23-17(21)9-7-5-3-4-6-8-10-18(22)24-16-12-14(19)11-15(20)13-16/h11-13H,2-10H2,1H3 |
| InChIKey | WTTFKHQOCADWOD-UHFFFAOYSA-N |
| Mol Weight | 375.29 g/mol |
| Molecular Formula | C18H24Cl2O4 |
| Exact Mass | 374.105165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7RIhcdtBHFV |
|---|---|
| Name | Sebacic acid, 3,5-dichlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.105164649 u |
| Formula | C18H24Cl2O4 |
| InChI | InChI=1S/C18H24Cl2O4/c1-2-23-17(21)9-7-5-3-4-6-8-10-18(22)24-16-12-14(19)11-15(20)13-16/h11-13H,2-10H2,1H3 |
| InChIKey | WTTFKHQOCADWOD-UHFFFAOYSA-N |
| Molecular Weight | 375.292 g/mol |
| SMILES | C(CCCCC(OC1=CC(=CC(=C1)Cl)Cl)=O)CCCC(OCC)=O |