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

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Ethyl 2,4-dihydroxy-6-methylbenzoate, bis(heptafluorobutyrate)
SpectraBase Compound ID EmfocZTB1CZ
InChI InChI=1S/C18H10F14O6/c1-3-36-10(33)9-6(2)4-7(37-11(34)13(19,20)15(23,24)17(27,28)29)5-8(9)38-12(35)14(21,22)16(25,26)18(30,31)32/h4-5H,3H2,1-2H3
InChIKey VAQTXBNLBUDPFG-UHFFFAOYSA-N
Mol Weight 588.25 g/mol
Molecular Formula C18H10F14O6
Exact Mass 588.025382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7LuelktLgQ
Name Ethyl 2,4-dihydroxy-6-methylbenzoate, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
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Exact Mass 588.025382318 u
Formula C18H10F14O6
InChI InChI=1S/C18H10F14O6/c1-3-36-10(33)9-6(2)4-7(37-11(34)13(19,20)15(23,24)17(27,28)29)5-8(9)38-12(35)14(21,22)16(25,26)18(30,31)32/h4-5H,3H2,1-2H3
InChIKey VAQTXBNLBUDPFG-UHFFFAOYSA-N
Molecular Weight 588.250 g/mol
SMILES C(OCC)(=O)C1=C(C)C=C(C=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F