SpectraBase Compound ID | 5NdvbNrGtNI |
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InChI | InChI=1S/C11H20Cl2O/c1-2-3-4-5-6-7-8-9-10(14)11(12)13/h11H,2-9H2,1H3 |
InChIKey | ZWIOHFASGXYHKV-UHFFFAOYSA-N |
Mol Weight | 239.19 g/mol |
Molecular Formula | C11H20Cl2O |
Exact Mass | 238.089121 g/mol |
SpectraBase Spectrum ID | GNyuPQsFrWj |
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Name | 1,1-Dichloroundecan-2-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 238.089120663 u |
Formula | C11H20Cl2O |
InChI | InChI=1S/C11H20Cl2O/c1-2-3-4-5-6-7-8-9-10(14)11(12)13/h11H,2-9H2,1H3 |
InChIKey | ZWIOHFASGXYHKV-UHFFFAOYSA-N |
Molecular Weight | 239.186 g/mol |
SMILES | C(C(=O)C(Cl)Cl)CCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941846 |