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Octan-2-yl 2,3,4,5,6-pentafluorobenzoate
SpectraBase Compound ID ITa5NzsFr6L
InChI InChI=1S/C15H17F5O2/c1-3-4-5-6-7-8(2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h8H,3-7H2,1-2H3
InChIKey IWYSQBVZHZVYTO-UHFFFAOYSA-N
Mol Weight 324.29 g/mol
Molecular Formula C15H17F5O2
Exact Mass 324.114871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ii4Ktu7n6C
Name Octan-2-yl 2,3,4,5,6-pentafluorobenzoate
Comments Computed using HOSE algorithm
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Exact Mass 324.114870600 u
Formula C15H17F5O2
InChI InChI=1S/C15H17F5O2/c1-3-4-5-6-7-8(2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h8H,3-7H2,1-2H3
InChIKey IWYSQBVZHZVYTO-UHFFFAOYSA-N
Molecular Weight 324.291 g/mol
SMILES C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OC(C)CCCCCC