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6-(Benzyloxycarbonyl)-1-methoxy-6-azacyclodeca[5,4-b]indole
SpectraBase Compound ID eulBzf4OIF
InChI InChI=1S/C24H28N2O3/c1-28-22-13-7-8-15-26(24(27)29-17-18-9-3-2-4-10-18)16-14-20-19-11-5-6-12-21(19)25-23(20)22/h2-6,9-12,22,25H,7-8,13-17H2,1H3
InChIKey DIMIWHHULDSZOO-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C24H28N2O3
Exact Mass 392.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6XZOtpiL0P
Name 6-(Benzyloxycarbonyl)-1-methoxy-6-azacyclodeca[5,4-B]indole
Comments Computed using HOSE algorithm
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Exact Mass 392.209992767 u
Formula C24H28N2O3
InChI InChI=1S/C24H28N2O3/c1-28-22-13-7-8-15-26(24(27)29-17-18-9-3-2-4-10-18)16-14-20-19-11-5-6-12-21(19)25-23(20)22/h2-6,9-12,22,25H,7-8,13-17H2,1H3
InChIKey DIMIWHHULDSZOO-UHFFFAOYSA-N
Molecular Weight 392.499 g/mol
SMILES C12=C(C3=CC=CC=C3N2)CCN(C(OCC=2C=CC=CC2)=O)CCCCC1OC