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2H-pyran-4-carboxamide, tetrahydro-4-phenyl-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]-
SpectraBase Compound ID EMaZ15cYyst
InChI InChI=1S/C27H28N2O3/c1-20(21-8-4-2-5-9-21)28-25(30)22-12-14-24(15-13-22)29-26(31)27(16-18-32-19-17-27)23-10-6-3-7-11-23/h2-15,20H,16-19H2,1H3,(H,28,30)(H,29,31)
InChIKey FIRAGNBOXOEZBM-UHFFFAOYSA-N
Mol Weight 428.53 g/mol
Molecular Formula C27H28N2O3
Exact Mass 428.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7b1Dt3x5h0w
Name 2H-Pyran-4-carboxamide, tetrahydro-4-phenyl-N-[4-[[(1-phenylethyl)amino]carbonyl]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 428.209992767 u
Formula C27H28N2O3
InChI InChI=1S/C27H28N2O3/c1-20(21-8-4-2-5-9-21)28-25(30)22-12-14-24(15-13-22)29-26(31)27(16-18-32-19-17-27)23-10-6-3-7-11-23/h2-15,20H,16-19H2,1H3,(H,28,30)(H,29,31)
InChIKey FIRAGNBOXOEZBM-UHFFFAOYSA-N
Molecular Weight 428.532 g/mol
SMILES N(C(C1(C2=CC=CC=C2)CCOCC1)=O)C=1C=CC(C(NC(C2=CC=CC=C2)C)=O)=CC1