SpectraBase Compound ID | 6TDw1J6QeA |
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InChI | InChI=1S/C6H5Cl3O3/c1-2-3-11-5(10)12-4-6(7,8)9/h1H,3-4H2 |
InChIKey | PNBDJMWCYXLBCY-UHFFFAOYSA-N |
Mol Weight | 231.46 g/mol |
Molecular Formula | C6H5Cl3O3 |
Exact Mass | 229.930427 g/mol |
SpectraBase Spectrum ID | C6R4XKE9CFt |
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Name | Carbonic acid, propargyl 2,2,2-trichloroethyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 229.930427118 u |
Formula | C6H5Cl3O3 |
InChI | InChI=1S/C6H5Cl3O3/c1-2-3-11-5(10)12-4-6(7,8)9/h1H,3-4H2 |
InChIKey | PNBDJMWCYXLBCY-UHFFFAOYSA-N |
SMILES | C(C(Cl)(Cl)Cl)OC(=O)OCC#C |