SpectraBase Compound ID | ES9t84J5WIr |
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InChI | InChI=1S/C9H10ClFO/c1-2-6-12-9-7(10)4-3-5-8(9)11/h3-5H,2,6H2,1H3 |
InChIKey | WLKYSGYJOHXKGA-UHFFFAOYSA-N |
Mol Weight | 188.63 g/mol |
Molecular Formula | C9H10ClFO |
Exact Mass | 188.040421 g/mol |
SpectraBase Spectrum ID | DAFbBPe3qNH |
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Name | 2-Chloro-6-fluorophenol, propyl ether |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 188.040420804 u |
Formula | C9H10ClFO |
InChI | InChI=1S/C9H10ClFO/c1-2-6-12-9-7(10)4-3-5-8(9)11/h3-5H,2,6H2,1H3 |
InChIKey | WLKYSGYJOHXKGA-UHFFFAOYSA-N |
Molecular Weight | 188.629 g/mol |
SMILES | C1(=CC=CC(=C1OCCC)Cl)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941161 |