| SpectraBase Compound ID | FCBLKj72g5z |
|---|---|
| InChI | InChI=1S/C19H25Cl3O4/c1-2-25-18(23)9-7-5-3-4-6-8-10-19(24)26-13-15-16(21)11-14(20)12-17(15)22/h11-12H,2-10,13H2,1H3 |
| InChIKey | VFFAVFXSZGQUSH-UHFFFAOYSA-N |
| Mol Weight | 423.76 g/mol |
| Molecular Formula | C19H25Cl3O4 |
| Exact Mass | 422.081842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4Cpd3TUyRe |
|---|---|
| Name | Sebacic acid, ethyl 2,4,6-trichlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.081842381 u |
| Formula | C19H25Cl3O4 |
| InChI | InChI=1S/C19H25Cl3O4/c1-2-25-18(23)9-7-5-3-4-6-8-10-19(24)26-13-15-16(21)11-14(20)12-17(15)22/h11-12H,2-10,13H2,1H3 |
| InChIKey | VFFAVFXSZGQUSH-UHFFFAOYSA-N |
| Molecular Weight | 423.764 g/mol |
| SMILES | C(CCCCCCC(OCC)=O)CC(OCC1=C(C=C(C=C1Cl)Cl)Cl)=O |