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1,1,1,2,2,5,5,5-Octafluoro-4-methoxypentan-3-ol

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1,1,1,2,2,5,5,5-Octafluoro-4-methoxypentan-3-ol
SpectraBase Compound ID A9m01Xst6gR
InChI InChI=1S/C6H6F8O2/c1-16-3(5(9,10)11)2(15)4(7,8)6(12,13)14/h2-3,15H,1H3
InChIKey PNQCBINBBCFZMO-UHFFFAOYSA-N
Mol Weight 262.1 g/mol
Molecular Formula C6H6F8O2
Exact Mass 262.024005 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 15oLCpiIGiz
Name 1,1,1,2,2,5,5,5-Octafluoro-4-methoxypentan-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.024004735 u
Formula C6H6F8O2
InChI InChI=1S/C6H6F8O2/c1-16-3(5(9,10)11)2(15)4(7,8)6(12,13)14/h2-3,15H,1H3
InChIKey PNQCBINBBCFZMO-UHFFFAOYSA-N
Molecular Weight 262.099 g/mol
SMILES C(C(O)C(F)(F)C(F)(F)F)(OC)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949227