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Butanoic acid, 3-chloro-, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester

View entire compound with spectra: 1 NMR

Butanoic acid, 3-chloro-, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl ester
SpectraBase Compound ID HCqFkZ1zn4W
InChI InChI=1S/C11H9ClF12O2/c1-4(12)2-5(25)26-3-7(15,16)9(19,20)11(23,24)10(21,22)8(17,18)6(13)14/h4,6H,2-3H2,1H3
InChIKey KRXNMRVLOSSUIJ-UHFFFAOYSA-N
Mol Weight 436.62 g/mol
Molecular Formula C11H9ClF12O2
Exact Mass 436.009945 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BdQNNUT4d0J
Name Butanoic acid, 3-chloro-, 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 436.009945184 u
Formula C11H9ClF12O2
InChI InChI=1S/C11H9ClF12O2/c1-4(12)2-5(25)26-3-7(15,16)9(19,20)11(23,24)10(21,22)8(17,18)6(13)14/h4,6H,2-3H2,1H3
InChIKey KRXNMRVLOSSUIJ-UHFFFAOYSA-N
Molecular Weight 436.625 g/mol
SMILES C(C(OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)C(C)Cl