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Heptadecafluorononanoic acid, allyl ester

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

Heptadecafluorononanoic acid, allyl ester
SpectraBase Compound ID ADYNiaHw05v
InChI InChI=1S/C12H5F17O2/c1-2-3-31-4(30)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3H2
InChIKey DCARDCAPXKDJAG-UHFFFAOYSA-N
Mol Weight 504.14 g/mol
Molecular Formula C12H5F17O2
Exact Mass 504.001808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID knyYzcdvd5
Name Heptadecafluorononanoic acid, allyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.001808170 u
Formula C12H5F17O2
InChI InChI=1S/C12H5F17O2/c1-2-3-31-4(30)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3H2
InChIKey DCARDCAPXKDJAG-UHFFFAOYSA-N
Molecular Weight 504.143 g/mol
SMILES C=CCOC(C(F)(F)C(C(C(C(F)(F)C(C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885038