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(1S,5S,6S)-6-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptyl)-3-oxa-bicyclo[3.2.1]octan-2-one

View entire compound with spectra: 1 MS (GC)

(1S,5S,6S)-6-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptyl)-3-oxa-bicyclo[3.2.1]octan-2-one
SpectraBase Compound ID IsMmFfsbcdy
InChI InChI=1S/C14H11F13O2/c15-9(16,3-6-1-5-2-7(6)4-29-8(5)28)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h5-7H,1-4H2/t5-,6-,7+/m0/s1
InChIKey BMMSHXHIXCKRML-LYFYHCNISA-N
Mol Weight 458.22 g/mol
Molecular Formula C14H11F13O2
Exact Mass 458.055146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pxClKQi6Ec
Name (1S,5S,6S)-6-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptyl)-3-oxa-bicyclo[3.2.1]octan-2-one
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Formula C14H11F13O2
InChI InChI=1S/C14H11F13O2/c15-9(16,3-6-1-5-2-7(6)4-29-8(5)28)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h5-7H,1-4H2/t5-,6-,7+/m0/s1
InChIKey BMMSHXHIXCKRML-LYFYHCNISA-N
Molecular Weight 458.219 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C[C@]1([C@@]2(C[C@@](C(=O)OC2)(C1)[H])[H])[H])(F)F)(F)F)(F)F
SPLASH splash10-0002-2009200000-1f7ee9bd05aff0ba7863
Source of Spectrum F-66-7292-3aa
Synonyms 6-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-heptyl)-3-oxa-bicyclo[3.2.1]octan-2-one
Wiley ID 1681142