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2-cyclohexyl-5,6,11,11a-tetrahydro-1H-imidazo[5',1':6,1]pyrido[3,4-b]indole-1,3(2H)-dione

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2-cyclohexyl-5,6,11,11a-tetrahydro-1H-imidazo[5',1':6,1]pyrido[3,4-b]indole-1,3(2H)-dione
SpectraBase Compound ID Am3Y5533YuD
InChI InChI=1S/C19H21N3O2/c23-18-17-10-14-13-8-4-5-9-15(13)20-16(14)11-21(17)19(24)22(18)12-6-2-1-3-7-12/h4-5,8-9,12,17,20H,1-3,6-7,10-11H2
InChIKey JMQVIZOVQCCONX-UHFFFAOYSA-N
Mol Weight 323.4 g/mol
Molecular Formula C19H21N3O2
Exact Mass 323.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HshuxjmYqeF
Name 2-Cyclohexyl-5,6,11,11A-tetrahydro-1H-imidazo[5',1':6,1]pyrido[3,4-B]indole-1,3(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.163376926 u
Formula C19H21N3O2
InChI InChI=1S/C19H21N3O2/c23-18-17-10-14-13-8-4-5-9-15(13)20-16(14)11-21(17)19(24)22(18)12-6-2-1-3-7-12/h4-5,8-9,12,17,20H,1-3,6-7,10-11H2
InChIKey JMQVIZOVQCCONX-UHFFFAOYSA-N
SMILES N1C=2C=CC=CC2C=2CC3C(N(C(N3CC12)=O)C1CCCCC1)=O