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(cis)-(1rs,12Brs)-1-ethyl-2,3,6,7,12,12B-hexahydro-1-[2-(phenylseleno)ethyl]indolo[2,3-A]quinolizin-4-(1H)-one
SpectraBase Compound ID x912gjokP2
InChI InChI=1S/C25H28N2OSe/c1-2-25(15-17-29-18-8-4-3-5-9-18)14-12-22(28)27-16-13-20-19-10-6-7-11-21(19)26-23(20)24(25)27/h3-11,24,26H,2,12-17H2,1H3/t24-,25+/m0/s1
InChIKey SHVZRVXCANCBCP-LOSJGSFVSA-N
Mol Weight 451.48 g/mol
Molecular Formula C25H28N2OSe
Exact Mass 452.136686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MuvjhWR12R
Name (cis)-(1rs,12Brs)-1-ethyl-2,3,6,7,12,12B-hexahydro-1-[2-(phenylseleno)ethyl]indolo[2,3-A]quinolizin-4-(1H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.136685529 u
Formula C25H28N2OSe
InChI InChI=1S/C25H28N2OSe/c1-2-25(15-17-29-18-8-4-3-5-9-18)14-12-22(28)27-16-13-20-19-10-6-7-11-21(19)26-23(20)24(25)27/h3-11,24,26H,2,12-17H2,1H3/t24-,25+/m0/s1
InChIKey SHVZRVXCANCBCP-LOSJGSFVSA-N
Molecular Weight 451.484 g/mol
SMILES C1CC2=C([C@]3([C@](CCC(N13)=O)(CC[Se]C1=CC=CC=C1)CC)[H])NC1=C2C=CC=C1