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1-Ethanone, 1-[1-[4,6-bis(ethylphenylamino)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl]-
SpectraBase Compound ID 4uIQLW1OKsh
InChI InChI=1S/C24H26N8O/c1-5-30(19-13-9-7-10-14-19)22-25-23(31(6-2)20-15-11-8-12-16-20)27-24(26-22)32-17(3)21(18(4)33)28-29-32/h7-16H,5-6H2,1-4H3
InChIKey NDNOKBOOCMURBV-UHFFFAOYSA-N
Mol Weight 442.53 g/mol
Molecular Formula C24H26N8O
Exact Mass 442.222957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID De2MrKmZm74
Name 1-Ethanone, 1-[1-[4,6-bis(ethylphenylamino)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.222957488 u
Formula C24H26N8O
InChI InChI=1S/C24H26N8O/c1-5-30(19-13-9-7-10-14-19)22-25-23(31(6-2)20-15-11-8-12-16-20)27-24(26-22)32-17(3)21(18(4)33)28-29-32/h7-16H,5-6H2,1-4H3
InChIKey NDNOKBOOCMURBV-UHFFFAOYSA-N
Molecular Weight 442.527 g/mol
SMILES C=1C=CC(N(C2=NC(N3N=NC(=C3C)C(=O)C)=NC(N(C=3C=CC=CC3)CC)=N2)CC)=CC1