| SpectraBase Compound ID | J6Tvpt5fbt2 |
|---|---|
| InChI | InChI=1S/C19H18Cl2O4/c20-14-6-10-16(11-7-14)24-18(22)4-2-1-3-5-19(23)25-17-12-8-15(21)9-13-17/h6-13H,1-5H2 |
| InChIKey | QMJIHYKZLFJTAX-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 | AzUDt65R9w3 |
|---|---|
| Name | Pimelic acid, di(4-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/c20-14-6-10-16(11-7-14)24-18(22)4-2-1-3-5-19(23)25-17-12-8-15(21)9-13-17/h6-13H,1-5H2 |
| InChIKey | QMJIHYKZLFJTAX-UHFFFAOYSA-N |
| Molecular Weight | 381.255 g/mol |
| SMILES | C(OC1=CC=C(C=C1)Cl)(=O)CCCCCC(OC1=CC=C(C=C1)Cl)=O |