| SpectraBase Compound ID | 27EDF86J0CQ |
|---|---|
| InChI | InChI=1S/C19H18Cl2O4/c20-14-6-4-8-16(12-14)24-18(22)10-2-1-3-11-19(23)25-17-9-5-7-15(21)13-17/h4-9,12-13H,1-3,10-11H2 |
| InChIKey | YAJQIDUZNQNEIL-UHFFFAOYSA-N |
| Mol Weight | 381.26 g/mol |
| Molecular Formula | C19H18Cl2O4 |
| Exact Mass | 380.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1AP3wuRRRCZ |
|---|---|
| Name | Pimelic acid, di(3-chlorophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.058214456 u |
| Formula | C19H18Cl2O4 |
| InChI | InChI=1S/C19H18Cl2O4/c20-14-6-4-8-16(12-14)24-18(22)10-2-1-3-11-19(23)25-17-9-5-7-15(21)13-17/h4-9,12-13H,1-3,10-11H2 |
| InChIKey | YAJQIDUZNQNEIL-UHFFFAOYSA-N |
| Molecular Weight | 381.255 g/mol |
| SMILES | C(OC1=CC=CC(=C1)Cl)(=O)CCCCCC(OC1=CC(=CC=C1)Cl)=O |