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Benzeneacetic acid, 3,4-bis(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

Benzeneacetic acid, 3,4-bis(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester
SpectraBase Compound ID 38yVGSTPuYg
InChI InChI=1S/C15H8F10O6/c1-29-9(26)5-6-2-3-7(30-10(27)12(16,17)14(20,21)22)8(4-6)31-11(28)13(18,19)15(23,24)25/h2-4H,5H2,1H3
InChIKey BZUPLXRZNYDNRZ-UHFFFAOYSA-N
Mol Weight 474.21 g/mol
Molecular Formula C15H8F10O6
Exact Mass 474.01612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kz1xKEeWNOn
Name Benzeneacetic acid, 3,4-bis(2,2,3,3,3-pentafluoro-1-oxopropoxy)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.016119602 u
Formula C15H8F10O6
InChI InChI=1S/C15H8F10O6/c1-29-9(26)5-6-2-3-7(30-10(27)12(16,17)14(20,21)22)8(4-6)31-11(28)13(18,19)15(23,24)25/h2-4H,5H2,1H3
InChIKey BZUPLXRZNYDNRZ-UHFFFAOYSA-N
Molecular Weight 474.207 g/mol
SMILES C(OC1=C(OC(C(C(F)(F)F)(F)F)=O)C=CC(=C1)CC(OC)=O)(C(C(F)(F)F)(F)F)=O