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Heptadecafluorononanoic acid, propyl ester

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Heptadecafluorononanoic acid, propyl ester
SpectraBase Compound ID 2U6agiPTEwG
InChI InChI=1S/C12H7F17O2/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/h2-3H2,1H3
InChIKey WYUJXBVCEHNYGY-UHFFFAOYSA-N
Mol Weight 506.16 g/mol
Molecular Formula C12H7F17O2
Exact Mass 506.017458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGPuVEdt3fI
Name Heptadecafluorononanoic acid, propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.017458234 u
Formula C12H7F17O2
InChI InChI=1S/C12H7F17O2/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/h2-3H2,1H3
InChIKey WYUJXBVCEHNYGY-UHFFFAOYSA-N
Molecular Weight 506.159 g/mol
SMILES C(C(C(C(F)(F)C(C(C(C(C(OCCC)=O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F