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(3R,4aS,8aS)-3-[(Z)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-enyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin
SpectraBase Compound ID DNjsUzWndeS
InChI InChI=1S/C15H14F12O2/c16-10(5-7-6-28-8-3-1-2-4-9(8)29-7)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)27/h5,7-9H,1-4,6H2/b10-5-/t7-,8+,9+/m1/s1
InChIKey HBYDGEMUTHCZTC-FHYZINEXSA-N
Mol Weight 454.26 g/mol
Molecular Formula C15H14F12O2
Exact Mass 454.080218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GBxQNCPrUV
Name (3R,4aS,8aS)-3-[(Z)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-enyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin
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Formula C15H14F12O2
InChI InChI=1S/C15H14F12O2/c16-10(5-7-6-28-8-3-1-2-4-9(8)29-7)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)27/h5,7-9H,1-4,6H2/b10-5-/t7-,8+,9+/m1/s1
InChIKey HBYDGEMUTHCZTC-FHYZINEXSA-N
Molecular Weight 454.256 g/mol
SMILES C(C(C(\C(=C\[C@]1(O[C@]2(CCCC[C@@]2(OC1)[H])[H])[H])F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-0udi-0001900000-2908e54c1d51c93b51cd
Source of Spectrum F-52-6198-12
Synonyms (3R,4aS,8aS)-3-[(Z)-2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-enyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxine (3R,4aS,8aS)-3-[(Z)-2,3,3,4,4,5,5,6,6,7,7,7-dodecakis(fluoranyl)hept-1-enyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxine
Wiley ID 796367