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Butyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoate

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Butyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoate
SpectraBase Compound ID IOYbYYHaMwa
InChI InChI=1S/C12H11F13O2/c1-2-3-4-27-6(26)5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h2-5H2,1H3
InChIKey XQZAKDSKFRWRKS-UHFFFAOYSA-N
Mol Weight 434.2 g/mol
Molecular Formula C12H11F13O2
Exact Mass 434.055146 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQDSZvkzHYc
Name Butyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.055145711 u
Formula C12H11F13O2
InChI InChI=1S/C12H11F13O2/c1-2-3-4-27-6(26)5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h2-5H2,1H3
InChIKey XQZAKDSKFRWRKS-UHFFFAOYSA-N
Molecular Weight 434.197 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(CC(=O)OCCCC)(F)F)(F)F)(F)F