| SpectraBase Compound ID | CnWlovLImgv |
|---|---|
| InChI | InChI=1S/C13H13Cl3O2/c14-9-6-11(16)12(7-10(9)15)18-13(17)8-4-2-1-3-5-8/h6-8H,1-5H2 |
| InChIKey | OQAHIINXZJWKED-UHFFFAOYSA-N |
| Mol Weight | 307.6 g/mol |
| Molecular Formula | C13H13Cl3O2 |
| Exact Mass | 305.998113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BzT0z2VX2Xt |
|---|---|
| Name | Cyclohexanecarboxylic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.998112757 u |
| Formula | C13H13Cl3O2 |
| InChI | InChI=1S/C13H13Cl3O2/c14-9-6-11(16)12(7-10(9)15)18-13(17)8-4-2-1-3-5-8/h6-8H,1-5H2 |
| InChIKey | OQAHIINXZJWKED-UHFFFAOYSA-N |
| Molecular Weight | 307.604 g/mol |
| SMILES | C1CCCCC1C(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl |