SpectraBase Compound ID | 68gu0u5XoxP |
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InChI | InChI=1S/C5Cl6O/c6-1-2(7)4(8,9)5(10,11)3(1)12 |
InChIKey | QFIIFFRWCNYRLM-UHFFFAOYSA-N |
Mol Weight | 288.8 g/mol |
Molecular Formula | C5Cl6O |
Exact Mass | 285.808031 g/mol |
SpectraBase Spectrum ID | 9ZwEukOLsYC |
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Name | Hexachlorocyclopent-2-en-1-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 285.808030819 u |
Formula | C5Cl6O |
InChI | InChI=1S/C5Cl6O/c6-1-2(7)4(8,9)5(10,11)3(1)12 |
InChIKey | QFIIFFRWCNYRLM-UHFFFAOYSA-N |
Molecular Weight | 288.772 g/mol |
SMILES | C1(Cl)=C(C(=O)C(Cl)(Cl)C1(Cl)Cl)Cl |
Spectrum/Structure Validation Score (Raman) | 0.925048 |