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Propane-1,3-diyl bis(2,3,4,5,6-pentafluorobenzoate)

View entire compound with spectra: 1 NMR

Propane-1,3-diyl bis(2,3,4,5,6-pentafluorobenzoate)
SpectraBase Compound ID Dter5Okx92m
InChI InChI=1S/C17H6F10O4/c18-6-4(7(19)11(23)14(26)10(6)22)16(28)30-2-1-3-31-17(29)5-8(20)12(24)15(27)13(25)9(5)21/h1-3H2
InChIKey WLUOMTVGHIINLA-UHFFFAOYSA-N
Mol Weight 464.22 g/mol
Molecular Formula C17H6F10O4
Exact Mass 464.01064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBOGogV6QDH
Name Propane-1,3-diyl bis(2,3,4,5,6-pentafluorobenzoate)
Comments Computed using HOSE algorithm
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Exact Mass 464.010640299 u
Formula C17H6F10O4
InChI InChI=1S/C17H6F10O4/c18-6-4(7(19)11(23)14(26)10(6)22)16(28)30-2-1-3-31-17(29)5-8(20)12(24)15(27)13(25)9(5)21/h1-3H2
InChIKey WLUOMTVGHIINLA-UHFFFAOYSA-N
Molecular Weight 464.215 g/mol
SMILES C(OC(=O)C1=C(C(=C(C(=C1F)F)F)F)F)CCOC(=O)C1=C(C(=C(C(=C1F)F)F)F)F