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Glycine, N-[3-([1,1'-biphenyl]-4-yloxy)-3-(4-fluorophenyl)propyl]-N-methyl-, methyl ester
SpectraBase Compound ID JzY1ed5TeuW
InChI InChI=1S/C25H26FNO3/c1-27(18-25(28)29-2)17-16-24(21-8-12-22(26)13-9-21)30-23-14-10-20(11-15-23)19-6-4-3-5-7-19/h3-15,24H,16-18H2,1-2H3
InChIKey ZOJAWWUHKCSKRU-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C25H26FNO3
Exact Mass 407.189672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9tu4Z0L6E9X
Name Glycine, N-[3-([1,1'-biphenyl]-4-yloxy)-3-(4-fluorophenyl)propyl]-N-methyl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 407.189671861 u
Formula C25H26FNO3
InChI InChI=1S/C25H26FNO3/c1-27(18-25(28)29-2)17-16-24(21-8-12-22(26)13-9-21)30-23-14-10-20(11-15-23)19-6-4-3-5-7-19/h3-15,24H,16-18H2,1-2H3
InChIKey ZOJAWWUHKCSKRU-UHFFFAOYSA-N
Molecular Weight 407.485 g/mol
SMILES C1(F)=CC=C(C=C1)C(OC1=CC=C(C=C1)C1=CC=CC=C1)CCN(CC(=O)OC)C