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

View entire compound with spectra: 2 NMR

2-(3-chlorophenyl)-5,6,11,11a-tetrahydro-1H-imidazo[5',1':6,1]pyrido[3,4-b]indole-1,3(2H)-dione
SpectraBase Compound ID 9FOAn1eQjji
InChI InChI=1S/C19H14ClN3O2/c20-11-4-3-5-12(8-11)23-18(24)17-9-14-13-6-1-2-7-15(13)21-16(14)10-22(17)19(23)25/h1-8,17,21H,9-10H2
InChIKey DZEHSYPOSQRJQI-UHFFFAOYSA-N
Mol Weight 351.79 g/mol
Molecular Formula C19H14ClN3O2
Exact Mass 351.077454 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3idG3MWj7HD
Name 2-(3-Chlorophenyl)-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 351.077454401 u
Formula C19H14ClN3O2
InChI InChI=1S/C19H14ClN3O2/c20-11-4-3-5-12(8-11)23-18(24)17-9-14-13-6-1-2-7-15(13)21-16(14)10-22(17)19(23)25/h1-8,17,21H,9-10H2
InChIKey DZEHSYPOSQRJQI-UHFFFAOYSA-N
Molecular Weight 351.793 g/mol
SMILES N1C2=C(C=3CC4C(N(C(N4CC13)=O)C=1C=C(Cl)C=CC1)=O)C=CC=C2