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5-Nonanol, heptafluorobutyrate

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5-Nonanol, heptafluorobutyrate
SpectraBase Compound ID HkBMoBUwqkp
InChI InChI=1S/C13H19F7O2/c1-3-5-7-9(8-6-4-2)22-10(21)11(14,15)12(16,17)13(18,19)20/h9H,3-8H2,1-2H3
InChIKey YVENZESUILAOPM-UHFFFAOYSA-N
Mol Weight 340.28 g/mol
Molecular Formula C13H19F7O2
Exact Mass 340.127327 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 88N9y3vyVk0
Name 5-Nonanol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.127326991 u
Formula C13H19F7O2
InChI InChI=1S/C13H19F7O2/c1-3-5-7-9(8-6-4-2)22-10(21)11(14,15)12(16,17)13(18,19)20/h9H,3-8H2,1-2H3
InChIKey YVENZESUILAOPM-UHFFFAOYSA-N
Molecular Weight 340.282 g/mol
SMILES C(CCCC)(CCCC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925592