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2-(3,4-Bis(trifluoroacetoxy)benzyl)tetrahydrofuran-5-one

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

2-(3,4-Bis(trifluoroacetoxy)benzyl)tetrahydrofuran-5-one
SpectraBase Compound ID DMJigVSycGt
InChI InChI=1S/C15H10F6O6/c16-14(17,18)12(23)26-9-3-1-7(5-8-2-4-11(22)25-8)6-10(9)27-13(24)15(19,20)21/h1,3,6,8H,2,4-5H2
InChIKey JVMITFLIVRDPCN-UHFFFAOYSA-N
Mol Weight 400.23 g/mol
Molecular Formula C15H10F6O6
Exact Mass 400.038157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K051Pkv46Gy
Name 2-(3,4-bis(Trifluoroacetoxy)benzyl)tetrahydrofuran-5-one
Comments Computed using HOSE algorithm
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Exact Mass 400.038157014 u
Formula C15H10F6O6
InChI InChI=1S/C15H10F6O6/c16-14(17,18)12(23)26-9-3-1-7(5-8-2-4-11(22)25-8)6-10(9)27-13(24)15(19,20)21/h1,3,6,8H,2,4-5H2
InChIKey JVMITFLIVRDPCN-UHFFFAOYSA-N
Molecular Weight 400.229 g/mol
SMILES C(C(OC=1C(OC(C(F)(F)F)=O)=CC(=CC1)CC1OC(=O)CC1)=O)(F)(F)F