| SpectraBase Compound ID | 5AASP3Yy1Kq |
|---|---|
| InChI | InChI=1S/C11H12Cl2O2/c12-7-2-1-6-11(14)15-10-5-3-4-9(13)8-10/h3-5,8H,1-2,6-7H2 |
| InChIKey | BUKVTCOEPIYRBG-UHFFFAOYSA-N |
| Mol Weight | 247.12 g/mol |
| Molecular Formula | C11H12Cl2O2 |
| Exact Mass | 246.021435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BK1qe54Zj9q |
|---|---|
| Name | 5-Chlorovaleric acid, 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.021435024 u |
| Formula | C11H12Cl2O2 |
| InChI | InChI=1S/C11H12Cl2O2/c12-7-2-1-6-11(14)15-10-5-3-4-9(13)8-10/h3-5,8H,1-2,6-7H2 |
| InChIKey | BUKVTCOEPIYRBG-UHFFFAOYSA-N |
| Molecular Weight | 247.121 g/mol |
| SMILES | C(CCl)CCC(=O)OC1=CC(=CC=C1)Cl |