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11-Benzoyl-3-methoxy-4A,5,8A,9,10,12-hexahydro-6(11H)-azepino[3,4,5-K,L]dibenzofuran-6-one
SpectraBase Compound ID 3N38MnTmtNy
InChI InChI=1S/C23H23NO3/c1-26-19-8-7-17-15-24(14-16-5-3-2-4-6-16)12-11-23-10-9-18(25)13-20(23)27-22(19)21(17)23/h2-10,20H,11-15H2,1H3
InChIKey LGRXDJXWFAEZHB-UHFFFAOYSA-N
Mol Weight 361.44 g/mol
Molecular Formula C23H23NO3
Exact Mass 361.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qZCE1sIs89
Name 11-Benzoyl-3-methoxy-4A,5,8A,9,10,12-hexahydro-6(11H)-azepino[3,4,5-K,L]dibenzofuran-6-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.167793602 u
Formula C23H23NO3
InChI InChI=1S/C23H23NO3/c1-26-19-8-7-17-15-24(14-16-5-3-2-4-6-16)12-11-23-10-9-18(25)13-20(23)27-22(19)21(17)23/h2-10,20H,11-15H2,1H3
InChIKey LGRXDJXWFAEZHB-UHFFFAOYSA-N
Molecular Weight 361.441 g/mol
SMILES C12CC(C=CC22C3=C(C=CC(=C3O1)OC)CN(CC2)CC1=CC=CC=C1)=O