| SpectraBase Compound ID | 6nI4EL35l7t |
|---|---|
| InChI | InChI=1S/C19H18Cl2O4/c20-16-8-4-14(5-9-16)12-24-18(22)2-1-3-19(23)25-13-15-6-10-17(21)11-7-15/h4-11H,1-3,12-13H2 |
| InChIKey | KXTUAIVSIIFDLV-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 | IjW7G1CUYGR |
|---|---|
| Name | Glutaric acid, di(4-chlorobenzyl) 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/c20-16-8-4-14(5-9-16)12-24-18(22)2-1-3-19(23)25-13-15-6-10-17(21)11-7-15/h4-11H,1-3,12-13H2 |
| InChIKey | KXTUAIVSIIFDLV-UHFFFAOYSA-N |
| Molecular Weight | 381.255 g/mol |
| SMILES | C1(=CC=C(C=C1)COC(CCCC(OCC1=CC=C(C=C1)Cl)=O)=O)Cl |