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N-(2,4-dimethylphenyl)-11-methyl-13-(4-methylphenyl)-1,8,10-triazatricyclo[7.4.0.0(2,7)]trideca-2,4,6,8,11-pentaene-12-carboxamide

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

N-(2,4-dimethylphenyl)-11-methyl-13-(4-methylphenyl)-1,8,10-triazatricyclo[7.4.0.0(2,7)]trideca-2,4,6,8,11-pentaene-12-carboxamide
SpectraBase Compound ID DFnHyAzskRq
InChI InChI=1S/C27H26N4O/c1-16-9-12-20(13-10-16)25-24(26(32)29-21-14-11-17(2)15-18(21)3)19(4)28-27-30-22-7-5-6-8-23(22)31(25)27/h5-15,25H,1-4H3,(H,28,30)(H,29,32)
InChIKey ZWATUJANPIJYIN-UHFFFAOYSA-N
Mol Weight 422.53 g/mol
Molecular Formula C27H26N4O
Exact Mass 422.210661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10N4T2rJ3PM
Name N-(2,4-Dimethylphenyl)-11-methyl-13-(4-methylphenyl)-1,8,10-triazatricyclo[7.4.0.0(2,7)]trideca-2,4,6,8,11-pentaene-12-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.210661472 u
Formula C27H26N4O
InChI InChI=1S/C27H26N4O/c1-16-9-12-20(13-10-16)25-24(26(32)29-21-14-11-17(2)15-18(21)3)19(4)28-27-30-22-7-5-6-8-23(22)31(25)27/h5-15,25H,1-4H3,(H,28,30)(H,29,32)
InChIKey ZWATUJANPIJYIN-UHFFFAOYSA-N
Molecular Weight 422.532 g/mol
SMILES C1=2N(C(C3=CC=C(C=C3)C)C(=C(N1)C)C(NC1=C(C=C(C=C1)C)C)=O)C1=CC=CC=C1N2