| SpectraBase Compound ID | 2vdiEjdhHut |
|---|---|
| InChI | InChI=1S/C15H15Cl3O4/c16-15(17,18)14(20)22-12-8-4-7-11(9-12)21-13(19)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2 |
| InChIKey | VDJHZJCUJQKQJJ-UHFFFAOYSA-N |
| Mol Weight | 365.64 g/mol |
| Molecular Formula | C15H15Cl3O4 |
| Exact Mass | 364.003592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9E3CyZXtsKy |
|---|---|
| Name | 1,3-Benzenediol, o-cyclohexanecarbonyl-o'-trichloroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.003592059 u |
| Formula | C15H15Cl3O4 |
| InChI | InChI=1S/C15H15Cl3O4/c16-15(17,18)14(20)22-12-8-4-7-11(9-12)21-13(19)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2 |
| InChIKey | VDJHZJCUJQKQJJ-UHFFFAOYSA-N |
| Molecular Weight | 365.640 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(=O)C1CCCCC1)OC(C(Cl)(Cl)Cl)=O |