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12-(4-Fluorophenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[B][4,7]phenanthrolin-11-one
SpectraBase Compound ID JXJ35g0piDS
InChI InChI=1S/C24H21FN2O/c1-24(2)12-19-23(20(28)13-24)21(14-5-7-15(25)8-6-14)22-16-4-3-11-26-17(16)9-10-18(22)27-19/h3-11,21,27H,12-13H2,1-2H3
InChIKey OGQRMXILQWISSB-UHFFFAOYSA-N
Mol Weight 372.44 g/mol
Molecular Formula C24H21FN2O
Exact Mass 372.163791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBbc4YV3Btm
Name 12-(4-Fluorophenyl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[B][4,7]phenanthrolin-11-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.163791466 u
Formula C24H21FN2O
InChI InChI=1S/C24H21FN2O/c1-24(2)12-19-23(20(28)13-24)21(14-5-7-15(25)8-6-14)22-16-4-3-11-26-17(16)9-10-18(22)27-19/h3-11,21,27H,12-13H2,1-2H3
InChIKey OGQRMXILQWISSB-UHFFFAOYSA-N
Molecular Weight 372.443 g/mol
SMILES C12=NC=CC=C2C2=C(C=C1)NC1=C(C2C2=CC=C(C=C2)F)C(CC(C1)(C)C)=O