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ethyl 4-[(1,1,2,2,3,3,3-heptafluoropropyl)selanyl]benzoate
SpectraBase Compound ID HzKhrHxEjP5
InChI InChI=1S/C12H9F7O2Se/c1-2-21-9(20)7-3-5-8(6-4-7)22-12(18,19)10(13,14)11(15,16)17/h3-6H,2H2,1H3
InChIKey JHFOYRICBMALGO-UHFFFAOYSA-N
Mol Weight 397.16 g/mol
Molecular Formula C12H9F7O2Se
Exact Mass 397.965599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AC17iDAlzIA
Name ethyl 4-[(1,1,2,2,3,3,3-heptafluoropropyl)selanyl]benzoate
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Formula C12H9F7O2Se
InChI InChI=1S/C12H9F7O2Se/c1-2-21-9(20)7-3-5-8(6-4-7)22-12(18,19)10(13,14)11(15,16)17/h3-6H,2H2,1H3
InChIKey JHFOYRICBMALGO-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 397.163 g/mol
Reported Formula C12H10F7O2Se
SMILES C(OCC)(c1ccc(cc1)[Se]C(C(F)(C(F)(F)F)F)(F)F)=O
SPLASH splash10-0uea-0639000000-c80446d26500df07c45f
Source of Spectrum WO2019211568A1
Wiley ID 1875061