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(3-Phenyloxiran-2-yl)methyl 2,2,3,3,4,4,4-heptafluorobutanoate
SpectraBase Compound ID LiLrRBiVG5y
InChI InChI=1S/C13H9F7O3/c14-11(15,12(16,17)13(18,19)20)10(21)22-6-8-9(23-8)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKey BGSKKLRTIMZJGL-UHFFFAOYSA-N
Mol Weight 346.2 g/mol
Molecular Formula C13H9F7O3
Exact Mass 346.043991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWUdjAemQza
Name (3-Phenyloxiran-2-yl)methyl 2,2,3,3,4,4,4-heptafluorobutanoate
Comments Computed using HOSE algorithm
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Exact Mass 346.043991288 u
Formula C13H9F7O3
InChI InChI=1S/C13H9F7O3/c14-11(15,12(16,17)13(18,19)20)10(21)22-6-8-9(23-8)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKey BGSKKLRTIMZJGL-UHFFFAOYSA-N
Molecular Weight 346.201 g/mol
SMILES C1=CC=CC=C1C1C(COC(=O)C(C(F)(C(F)(F)F)F)(F)F)O1