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Eserine, 2'-benzylaminocarbonyl-3'-phenyl-

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Eserine, 2'-benzylaminocarbonyl-3'-phenyl-
SpectraBase Compound ID AISnu4clDpM
InChI InChI=1S/C29H32N4O3/c1-29-16-17-31(2)26(29)32(3)25-15-14-23(18-24(25)29)36-28(35)33(20-22-12-8-5-9-13-22)27(34)30-19-21-10-6-4-7-11-21/h4-15,18,26H,16-17,19-20H2,1-3H3,(H,30,34)
InChIKey FPHISHSQBDIGAD-UHFFFAOYSA-N
Mol Weight 484.6 g/mol
Molecular Formula C29H32N4O3
Exact Mass 484.247441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IeYmijxdb1e
Name Eserine, 2'-benzylaminocarbonyl-3'-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 484.247440903 u
Formula C29H32N4O3
InChI InChI=1S/C29H32N4O3/c1-29-16-17-31(2)26(29)32(3)25-15-14-23(18-24(25)29)36-28(35)33(20-22-12-8-5-9-13-22)27(34)30-19-21-10-6-4-7-11-21/h4-15,18,26H,16-17,19-20H2,1-3H3,(H,30,34)
InChIKey FPHISHSQBDIGAD-UHFFFAOYSA-N
Molecular Weight 484.600 g/mol
SMILES C1=C(C=CC2=C1C1(CCN(C1N2C)C)C)OC(=O)N(CC1=CC=CC=C1)C(NCC1=CC=CC=C1)=O