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Methyl (S)-3-[3,4-bis(methylenedioxy)phenyl]-2-[N-(9-phenylfluoren-9-yl)amino]propanoate
SpectraBase Compound ID 2WaitZ9GyrD
InChI InChI=1S/C30H25NO4/c1-33-29(32)26(17-20-15-16-27-28(18-20)35-19-34-27)31-30(21-9-3-2-4-10-21)24-13-7-5-11-22(24)23-12-6-8-14-25(23)30/h2-16,18,26,31H,17,19H2,1H3/t26-/m0/s1
InChIKey ABQRFONOYNZFTH-SANMLTNESA-N
Mol Weight 463.53 g/mol
Molecular Formula C30H25NO4
Exact Mass 463.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8JKkrFxzrnT
Name Methyl (S)-3-[3,4-bis(methylenedioxy)phenyl]-2-[N-(9-phenylfluoren-9-yl)amino]propanoate
Comments Computed using HOSE algorithm
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Exact Mass 463.178358285 u
Formula C30H25NO4
InChI InChI=1S/C30H25NO4/c1-33-29(32)26(17-20-15-16-27-28(18-20)35-19-34-27)31-30(21-9-3-2-4-10-21)24-13-7-5-11-22(24)23-12-6-8-14-25(23)30/h2-16,18,26,31H,17,19H2,1H3/t26-/m0/s1
InChIKey ABQRFONOYNZFTH-SANMLTNESA-N
Molecular Weight 463.533 g/mol
SMILES C1(C2=C(C=CC=C2)C2=C1C=CC=C2)(N[C@](C(=O)OC)(CC=1C=C2OCOC2=CC1)[H])C1=CC=CC=C1