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Heptadecafluorononanoic acid, pentyl ester

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Heptadecafluorononanoic acid, pentyl ester
SpectraBase Compound ID B7gZG1HInEN
InChI InChI=1S/C14H11F17O2/c1-2-3-4-5-33-6(32)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h2-5H2,1H3
InChIKey IPDHNBLBHIACOC-UHFFFAOYSA-N
Mol Weight 534.21 g/mol
Molecular Formula C14H11F17O2
Exact Mass 534.048758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmSzYFQkLe1
Name Heptadecafluorononanoic acid, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.048758363 u
Formula C14H11F17O2
InChI InChI=1S/C14H11F17O2/c1-2-3-4-5-33-6(32)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h2-5H2,1H3
InChIKey IPDHNBLBHIACOC-UHFFFAOYSA-N
Molecular Weight 534.213 g/mol
SMILES C(C(C(C(C(OCCCCC)=O)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F