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(2Z)-2-[(isopropylamino)-methoxy-methylene]malonic acid O1-methyl ester O3-(2,2,2-trifluoroethyl) ester
SpectraBase Compound ID AvKRhP6wXms
InChI InChI=1S/C11H16F3NO5/c1-6(2)15-8(18-3)7(9(16)19-4)10(17)20-5-11(12,13)14/h6,15H,5H2,1-4H3/b8-7-
InChIKey MBNPBIYUARNPOL-FPLPWBNLSA-N
Mol Weight 299.25 g/mol
Molecular Formula C11H16F3NO5
Exact Mass 299.098057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5VmKXnlUwB
Name (2Z)-2-[(Isopropylamino)-methoxy-methylene]malonic acid O1-methyl ester O3-(2,2,2-trifluoroethyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 299.098057103 u
Formula C11H16F3NO5
InChI InChI=1S/C11H16F3NO5/c1-6(2)15-8(18-3)7(9(16)19-4)10(17)20-5-11(12,13)14/h6,15H,5H2,1-4H3/b8-7-
InChIKey MBNPBIYUARNPOL-FPLPWBNLSA-N
Molecular Weight 299.246 g/mol
SMILES C(N\C(=C\(C(OCC(F)(F)F)=O)C(=O)OC)OC)(C)C