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Cyclopentanepropanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester

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Cyclopentanepropanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
SpectraBase Compound ID 9dJroHgkwiy
InChI InChI=1S/C15H16F12O2/c16-10(17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)7-29-9(28)6-5-8-3-1-2-4-8/h8,10H,1-7H2
InChIKey PMOMHUATCQUIIA-UHFFFAOYSA-N
Mol Weight 456.27 g/mol
Molecular Formula C15H16F12O2
Exact Mass 456.095868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6aS0xZM3ksJ
Name Cyclopentanepropanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.095867709 u
Formula C15H16F12O2
InChI InChI=1S/C15H16F12O2/c16-10(17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)7-29-9(28)6-5-8-3-1-2-4-8/h8,10H,1-7H2
InChIKey PMOMHUATCQUIIA-UHFFFAOYSA-N
Molecular Weight 456.272 g/mol
SMILES C(C(COC(CCC1CCCC1)=O)(F)F)(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F