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Lyxonic acid (et-tfa)

View entire compound with spectra: 1 NMR

Lyxonic acid (et-tfa)
SpectraBase Compound ID LnbJpiVVIeR
InChI InChI=1S/C15H10F12O10/c1-2-33-7(28)6(37-11(32)15(25,26)27)5(36-10(31)14(22,23)24)4(35-9(30)13(19,20)21)3-34-8(29)12(16,17)18/h4-6H,2-3H2,1H3
InChIKey WVHYAYUKCNQOSN-UHFFFAOYSA-N
Mol Weight 578.22 g/mol
Molecular Formula C15H10F12O10
Exact Mass 578.008234 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4DIaB1HWk7
Name Lyxonic acid (et-tfa)
Comments Computed using HOSE algorithm
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Exact Mass 578.008234468 u
Formula C15H10F12O10
InChI InChI=1S/C15H10F12O10/c1-2-33-7(28)6(37-11(32)15(25,26)27)5(36-10(31)14(22,23)24)4(35-9(30)13(19,20)21)3-34-8(29)12(16,17)18/h4-6H,2-3H2,1H3
InChIKey WVHYAYUKCNQOSN-UHFFFAOYSA-N
Molecular Weight 578.216 g/mol
SMILES C(C(C(OC(C(F)(F)F)=O)COC(C(F)(F)F)=O)OC(C(F)(F)F)=O)(C(OCC)=O)OC(C(F)(F)F)=O