| SpectraBase Compound ID | BvbY1LfHI6L |
|---|---|
| InChI | InChI=1S/C7H9Cl3O3/c8-7(9,10)6(11)13-4-5-2-1-3-12-5/h5H,1-4H2 |
| InChIKey | KRASDIKFKQEXPK-UHFFFAOYSA-N |
| Mol Weight | 247.5 g/mol |
| Molecular Formula | C7H9Cl3O3 |
| Exact Mass | 245.961727 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 | K2MoqkvhlL8 |
|---|---|
| Name | Trichloroacetic acid, 2-tetrahydrofurylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.961727247 u |
| Formula | C7H9Cl3O3 |
| InChI | InChI=1S/C7H9Cl3O3/c8-7(9,10)6(11)13-4-5-2-1-3-12-5/h5H,1-4H2 |
| InChIKey | KRASDIKFKQEXPK-UHFFFAOYSA-N |
| Molecular Weight | 247.505 g/mol |
| SMILES | C(Cl)(Cl)(C(=O)OCC1OCCC1)Cl |