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Heptyl 2-hydro-3-oxoperfluoroheptanoate, hydrate

View entire compound with spectra: 2 NMR

Heptyl 2-hydro-3-oxoperfluoroheptanoate, hydrate
SpectraBase Compound ID K7uiX5XldEi
InChI InChI=1S/C14H18F10O4/c1-2-3-4-5-6-7-28-9(25)8(15)10(26,27)11(16,17)12(18,19)13(20,21)14(22,23)24/h8,26-27H,2-7H2,1H3
InChIKey LHYPXJKZQJFFMC-UHFFFAOYSA-N
Mol Weight 440.28 g/mol
Molecular Formula C14H18F10O4
Exact Mass 440.104541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EVOcgYDcaL5
Name Heptyl 2-hydro-3-oxoperfluoroheptanoate, hydrate
Comments Computed using HOSE algorithm
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Exact Mass 440.104540686 u
Formula C14H18F10O4
InChI InChI=1S/C14H18F10O4/c1-2-3-4-5-6-7-28-9(25)8(15)10(26,27)11(16,17)12(18,19)13(20,21)14(22,23)24/h8,26-27H,2-7H2,1H3
InChIKey LHYPXJKZQJFFMC-UHFFFAOYSA-N
Molecular Weight 440.278 g/mol
SMILES OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(=O)OCCCCCCC)F)O