| SpectraBase Compound ID | 7UYAedeicDD |
|---|---|
| InChI | InChI=1S/C12H13Cl3O2/c1-2-3-4-5-11(16)17-12-9(14)6-8(13)7-10(12)15/h6-7H,2-5H2,1H3 |
| InChIKey | JFCPSYMVPOACCF-UHFFFAOYSA-N |
| Mol Weight | 295.59 g/mol |
| Molecular Formula | C12H13Cl3O2 |
| Exact Mass | 293.998113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3NvWbBr3y5 |
|---|---|
| Name | Hexanoic acid, 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.998112757 u |
| Formula | C12H13Cl3O2 |
| InChI | InChI=1S/C12H13Cl3O2/c1-2-3-4-5-11(16)17-12-9(14)6-8(13)7-10(12)15/h6-7H,2-5H2,1H3 |
| InChIKey | JFCPSYMVPOACCF-UHFFFAOYSA-N |
| Molecular Weight | 295.593 g/mol |
| SMILES | C(=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)CCCCC |