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2-[(Methoxycarbonyl)methyl]-3-[2-[N-(tert-butoxycarbonyl)-N-[1(R)-(1-naphthyl)ethyl]amino]ethyl]indole
SpectraBase Compound ID KNljwvKxsJt
InChI InChI=1S/C30H34N2O4/c1-20(22-15-10-12-21-11-6-7-13-23(21)22)32(29(34)36-30(2,3)4)18-17-25-24-14-8-9-16-26(24)31-27(25)19-28(33)35-5/h6-16,20,31H,17-19H2,1-5H3/t20-/m1/s1
InChIKey XTNGQABWWFPUQO-HXUWFJFHSA-N
Mol Weight 486.6 g/mol
Molecular Formula C30H34N2O4
Exact Mass 486.251858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9OroIXAUjhq
Name 2-[(Methoxycarbonyl)methyl]-3-[2-[N-(tert-butoxycarbonyl)-N-[1(R)-(1-naphthyl)ethyl]amino]ethyl]indole
Comments Computed using HOSE algorithm
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Exact Mass 486.251857579 u
Formula C30H34N2O4
InChI InChI=1S/C30H34N2O4/c1-20(22-15-10-12-21-11-6-7-13-23(21)22)32(29(34)36-30(2,3)4)18-17-25-24-14-8-9-16-26(24)31-27(25)19-28(33)35-5/h6-16,20,31H,17-19H2,1-5H3/t20-/m1/s1
InChIKey XTNGQABWWFPUQO-HXUWFJFHSA-N
Molecular Weight 486.612 g/mol
SMILES C1(=C(C=2C=CC=CC2N1)CCN(C(OC(C)(C)C)=O)[C@@](C1=C2C(C=CC=C2)=CC=C1)(C)[H])CC(=O)OC