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Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 3-fluorophenyl ester

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Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 3-fluorophenyl ester
SpectraBase Compound ID 7X3o5kCIrIz
InChI InChI=1S/C25H22FNO3/c26-22-12-7-13-23(18-22)30-25(29)15-14-24(28)27(19-21-10-5-2-6-11-21)17-16-20-8-3-1-4-9-20/h1-15,18H,16-17,19H2/b15-14+
InChIKey NELJQPRPADOPOH-CCEZHUSRSA-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 4xtF31WmFSA
Name Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 3-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 403.158371732 u
Formula C25H22FNO3
InChI InChI=1S/C25H22FNO3/c26-22-12-7-13-23(18-22)30-25(29)15-14-24(28)27(19-21-10-5-2-6-11-21)17-16-20-8-3-1-4-9-20/h1-15,18H,16-17,19H2/b15-14+
InChIKey NELJQPRPADOPOH-CCEZHUSRSA-N
Molecular Weight 403.453 g/mol
SMILES C1=C(C=CC=C1F)OC(=O)\C=C\C(=O)N(CCC1=CC=CC=C1)CC1=CC=CC=C1