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1-(3-Chloro-phenyl)-6,6-dimethyl-2-(4-nitro-phenyl)-1,5,6,7-tetrahydro-indol-4-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(3-Chloro-phenyl)-6,6-dimethyl-2-(4-nitro-phenyl)-1,5,6,7-tetrahydro-indol-4-one
SpectraBase Compound ID Bo5wHpwKgpz
InChI InChI=1S/C22H19ClN2O3/c1-22(2)12-20-18(21(26)13-22)11-19(14-6-8-16(9-7-14)25(27)28)24(20)17-5-3-4-15(23)10-17/h3-11H,12-13H2,1-2H3
InChIKey LCLHWEDLWUHYJG-UHFFFAOYSA-N
Mol Weight 394.86 g/mol
Molecular Formula C22H19ClN2O3
Exact Mass 394.10842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1faVhQKMg6d
Name 1-(3-Chloro-phenyl)-6,6-dimethyl-2-(4-nitro-phenyl)-1,5,6,7-tetrahydro-indol-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.108420177 u
Formula C22H19ClN2O3
InChI InChI=1S/C22H19ClN2O3/c1-22(2)12-20-18(21(26)13-22)11-19(14-6-8-16(9-7-14)25(27)28)24(20)17-5-3-4-15(23)10-17/h3-11H,12-13H2,1-2H3
InChIKey LCLHWEDLWUHYJG-UHFFFAOYSA-N
Molecular Weight 394.858 g/mol
SMILES C1=2N(C(=CC2C(=O)CC(C1)(C)C)C=1C=CC(N(=O)=O)=CC1)C1=CC(Cl)=CC=C1