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Fumaric acid, monoamide, N-methyl-N-phenyl-, pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-methyl-N-phenyl-, pentafluorobenzyl ester
SpectraBase Compound ID HZ59N0zNT7H
InChI InChI=1S/C18H12F5NO3/c1-24(10-5-3-2-4-6-10)12(25)7-8-13(26)27-9-11-14(19)16(21)18(23)17(22)15(11)20/h2-8H,9H2,1H3/b8-7+
InChIKey ZWVQSLFQAZDRNB-BQYQJAHWSA-N
Mol Weight 385.29 g/mol
Molecular Formula C18H12F5NO3
Exact Mass 385.073734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wnKRhkkoej
Name Fumaric acid, monoamide, N-methyl-N-phenyl-, pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 385.073734062 u
Formula C18H12F5NO3
InChI InChI=1S/C18H12F5NO3/c1-24(10-5-3-2-4-6-10)12(25)7-8-13(26)27-9-11-14(19)16(21)18(23)17(22)15(11)20/h2-8H,9H2,1H3/b8-7+
InChIKey ZWVQSLFQAZDRNB-BQYQJAHWSA-N
Molecular Weight 385.290 g/mol
SMILES CN(C1=CC=CC=C1)C(=O)\C=C\C(OCC1=C(C(=C(F)C(=C1F)F)F)F)=O