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Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-fluorophenyl ester
SpectraBase Compound ID 7WiPmg2v37m
InChI InChI=1S/C25H22FNO3/c26-22-13-7-8-14-23(22)30-25(29)16-15-24(28)27(19-21-11-5-2-6-12-21)18-17-20-9-3-1-4-10-20/h1-16H,17-19H2/b16-15+
InChIKey HAUSSUIWYOGCIB-FOCLMDBBSA-N
Mol Weight 403.45 g/mol
Molecular Formula C25H22FNO3
Exact Mass 403.158372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8dK4A5Rlwus
Name Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 403.158371732 u
Formula C25H22FNO3
InChI InChI=1S/C25H22FNO3/c26-22-13-7-8-14-23(22)30-25(29)16-15-24(28)27(19-21-11-5-2-6-12-21)18-17-20-9-3-1-4-10-20/h1-16H,17-19H2/b16-15+
InChIKey HAUSSUIWYOGCIB-FOCLMDBBSA-N
Molecular Weight 403.453 g/mol
SMILES C1=CC=C(C=C1)CCN(C(\C=C\C(OC1=C(C=CC=C1)F)=O)=O)CC1=CC=CC=C1