SpectraBase Compound ID | LHcqCLfeEV9 |
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InChI | InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1 |
InChIKey | LUPNKHXLFSSUGS-UHFFFAOYSA-M |
Mol Weight | 150.92 g/mol |
Molecular Formula | C2HCl2NaO2 |
Exact Mass | 149.925129 g/mol |
SpectraBase Spectrum ID | 5A5kY0z1odD |
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Name | Dichloroacetic aicd, sodium salt |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 149.925128950 u |
Formula | C2HCl2NaO2 |
InChI | InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1 |
InChIKey | LUPNKHXLFSSUGS-UHFFFAOYSA-M |
Molecular Weight | 150.924 g/mol |
SMILES | [Na+].C(Cl)(C([O-])=O)Cl |
Spectrum/Structure Validation Score (Raman) | 0.940927 |