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Pentadecafluorooctanoic acid, propyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Pentadecafluorooctanoic acid, propyl ester
SpectraBase Compound ID FW2FpkL5XlV
InChI InChI=1S/C11H7F15O2/c1-2-3-28-4(27)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2-3H2,1H3
InChIKey NLRDSVJADSYYGV-UHFFFAOYSA-N
Mol Weight 456.15 g/mol
Molecular Formula C11H7F15O2
Exact Mass 456.020652 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5mrUx153klY
Name Pentadecafluorooctanoic acid, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.020651908 u
Formula C11H7F15O2
InChI InChI=1S/C11H7F15O2/c1-2-3-28-4(27)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2-3H2,1H3
InChIKey NLRDSVJADSYYGV-UHFFFAOYSA-N
Molecular Weight 456.151 g/mol
SMILES C(C(F)(F)C(C(F)(F)C(C(C(=O)OCCC)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84635