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Ethyl 2,4-dihydroxy-6-methylbenzoate, bis(trifluoroacetate)

View entire compound with spectra: 1 NMR

Ethyl 2,4-dihydroxy-6-methylbenzoate, bis(trifluoroacetate)
SpectraBase Compound ID BpmoiXYinDx
InChI InChI=1S/C14H10F6O6/c1-3-24-10(21)9-6(2)4-7(25-11(22)13(15,16)17)5-8(9)26-12(23)14(18,19)20/h4-5H,3H2,1-2H3
InChIKey RZCWRCXAYXTEPF-UHFFFAOYSA-N
Mol Weight 388.22 g/mol
Molecular Formula C14H10F6O6
Exact Mass 388.038157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7gHZz0Qsege
Name Ethyl 2,4-dihydroxy-6-methylbenzoate, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
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Exact Mass 388.038157014 u
Formula C14H10F6O6
InChI InChI=1S/C14H10F6O6/c1-3-24-10(21)9-6(2)4-7(25-11(22)13(15,16)17)5-8(9)26-12(23)14(18,19)20/h4-5H,3H2,1-2H3
InChIKey RZCWRCXAYXTEPF-UHFFFAOYSA-N
Molecular Weight 388.218 g/mol
SMILES C(OCC)(=O)C1=C(C)C=C(C=C1OC(C(F)(F)F)=O)OC(C(F)(F)F)=O