| SpectraBase Compound ID | 1kbMT7GcOrF |
|---|---|
| InChI | InChI=1S/C10H7Cl3O4/c1-5(14)16-4-10(15)17-9-3-7(12)6(11)2-8(9)13/h2-3H,4H2,1H3 |
| InChIKey | SWGZAKBXZHMWLP-UHFFFAOYSA-N |
| Mol Weight | 297.52 g/mol |
| Molecular Formula | C10H7Cl3O4 |
| Exact Mass | 295.940992 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 | 55SJP62Bo0E |
|---|---|
| Name | Acetoxyacetic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.940991801 u |
| Formula | C10H7Cl3O4 |
| InChI | InChI=1S/C10H7Cl3O4/c1-5(14)16-4-10(15)17-9-3-7(12)6(11)2-8(9)13/h2-3H,4H2,1H3 |
| InChIKey | SWGZAKBXZHMWLP-UHFFFAOYSA-N |
| Molecular Weight | 297.521 g/mol |
| SMILES | C(COC(C)=O)(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl |