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2-(4-bromophenyl)-1-(4-chloro-2,5-dimethoxyphenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one

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2-(4-bromophenyl)-1-(4-chloro-2,5-dimethoxyphenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one
SpectraBase Compound ID CyltamC90sa
InChI InChI=1S/C24H23BrClNO3/c1-24(2)12-20-16(21(28)13-24)9-18(14-5-7-15(25)8-6-14)27(20)19-11-22(29-3)17(26)10-23(19)30-4/h5-11H,12-13H2,1-4H3
InChIKey IFZIXIKDXHSPTR-UHFFFAOYSA-N
Mol Weight 488.81 g/mol
Molecular Formula C24H23BrClNO3
Exact Mass 487.054984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gm30kfgAJQ
Name 2-(4-Bromophenyl)-1-(4-chloro-2,5-dimethoxyphenyl)-6,6-dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.054984302 u
Formula C24H23BrClNO3
InChI InChI=1S/C24H23BrClNO3/c1-24(2)12-20-16(21(28)13-24)9-18(14-5-7-15(25)8-6-14)27(20)19-11-22(29-3)17(26)10-23(19)30-4/h5-11H,12-13H2,1-4H3
InChIKey IFZIXIKDXHSPTR-UHFFFAOYSA-N
Molecular Weight 488.809 g/mol
SMILES COC=1C=C(N2C3=C(C(=O)CC(C3)(C)C)C=C2C=2C=CC(=CC2)Br)C(=CC1Cl)OC