SpectraBase Compound ID | E3N2cW3LiSQ |
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InChI | InChI=1S/C9H7Cl2NO2S/c10-7-2-1-6(3-8(7)11)12-5-15(14)4-9(12)13/h1-3H,4-5H2 |
InChIKey | DEPGXMLIHZXPHL-UHFFFAOYSA-N |
Mol Weight | 264.13 g/mol |
Molecular Formula | C9H7Cl2NO2S |
Exact Mass | 262.957455 g/mol |
SpectraBase Spectrum ID | H2ktABLXiEX |
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Name | 3-(3,4-Dichlorophenyl)-4-thiazolidinone, 1-oxide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 262.957455041 u |
Formula | C9H7Cl2NO2S |
InChI | InChI=1S/C9H7Cl2NO2S/c10-7-2-1-6(3-8(7)11)12-5-15(14)4-9(12)13/h1-3H,4-5H2 |
InChIKey | DEPGXMLIHZXPHL-UHFFFAOYSA-N |
SMILES | C=1C=C(C=C(Cl)C1Cl)N1C(CS(C1)=O)=O |
Spectrum/Structure Validation Score (Raman) | 0.845819 |