| SpectraBase Compound ID | 4zE2PmIFYOW |
|---|---|
| InChI | InChI=1S/C11H11Cl3O2/c12-6-2-1-3-11(15)16-8-4-5-9(13)10(14)7-8/h4-5,7H,1-3,6H2 |
| InChIKey | BYNHRZMXLGSQAV-UHFFFAOYSA-N |
| Mol Weight | 281.57 g/mol |
| Molecular Formula | C11H11Cl3O2 |
| Exact Mass | 279.982463 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AZqJue4dix8 |
|---|---|
| Name | 5-Chlorovaleric acid, 3,4-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.982462692 u |
| Formula | C11H11Cl3O2 |
| InChI | InChI=1S/C11H11Cl3O2/c12-6-2-1-3-11(15)16-8-4-5-9(13)10(14)7-8/h4-5,7H,1-3,6H2 |
| InChIKey | BYNHRZMXLGSQAV-UHFFFAOYSA-N |
| Molecular Weight | 281.566 g/mol |
| SMILES | C1(=CC=C(C=C1Cl)OC(CCCCCl)=O)Cl |