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Cay10487, o,o'-bis(trifluoroacetate)

View entire compound with spectra: 1 NMR

Cay10487, o,o'-bis(trifluoroacetate)
SpectraBase Compound ID Cf2q6mh7ctx
InChI InChI=1S/C17H13F6NO7/c1-8(13(26)29-2)24-12(25)6-4-9-3-5-10(30-14(27)16(18,19)20)11(7-9)31-15(28)17(21,22)23/h3-8H,1-2H3,(H,24,25)/b6-4-/t8-/m1/s1
InChIKey KPSREKSYSOAQKQ-RZAAKKIOSA-N
Mol Weight 457.28 g/mol
Molecular Formula C17H13F6NO7
Exact Mass 457.059621 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UoXE1k6dqN
Name Cay10487, o,o'-bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.059620734 u
Formula C17H13F6NO7
InChI InChI=1S/C17H13F6NO7/c1-8(13(26)29-2)24-12(25)6-4-9-3-5-10(30-14(27)16(18,19)20)11(7-9)31-15(28)17(21,22)23/h3-8H,1-2H3,(H,24,25)/b6-4-/t8-/m1/s1
InChIKey KPSREKSYSOAQKQ-RZAAKKIOSA-N
Molecular Weight 457.281 g/mol
SMILES COC(=O)[C@@](C)(NC(=O)\C=C/C1=CC=C(OC(C(F)(F)F)=O)C(=C1)OC(C(F)(F)F)=O)[H]