SpectraBase Compound ID | vFHoKh59qH |
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InChI | InChI=1S/C13H6Cl2O/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H |
InChIKey | HEYWYQQFXVEUSH-UHFFFAOYSA-N |
Mol Weight | 249.1 g/mol |
Molecular Formula | C13H6Cl2O |
Exact Mass | 247.97957 g/mol |
SpectraBase Spectrum ID | B3AdazAJ7Sk |
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Name | 2,7-Dichloro-9-fluorenone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 247.979570212 u |
Formula | C13H6Cl2O |
InChI | InChI=1S/C13H6Cl2O/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H |
InChIKey | HEYWYQQFXVEUSH-UHFFFAOYSA-N |
Molecular Weight | 249.096 g/mol |
SMILES | C1(Cl)=CC=2C(C3=CC(=CC=C3C2C=C1)Cl)=O |
Spectrum/Structure Validation Score (Raman) | 0.93838 |