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1-[1-[4-amino-6-(N-phenylanilino)-1,3,5-triazin-2-yl]-5-methyl-4-triazolyl]ethanone

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

1-[1-[4-amino-6-(N-phenylanilino)-1,3,5-triazin-2-yl]-5-methyl-4-triazolyl]ethanone
SpectraBase Compound ID BIDyy0BBuFx
InChI InChI=1S/C20H18N8O/c1-13-17(14(2)29)25-26-28(13)20-23-18(21)22-19(24-20)27(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1-2H3,(H2,21,22,23,24)
InChIKey BXKPXOLOHHWWCM-UHFFFAOYSA-N
Mol Weight 386.42 g/mol
Molecular Formula C20H18N8O
Exact Mass 386.160357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KafHyBnsY1w
Name 1-[1-[4-Amino-6-(N-phenylanilino)-1,3,5-triazin-2-yl]-5-methyl-4-triazolyl]ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.160357231 u
Formula C20H18N8O
InChI InChI=1S/C20H18N8O/c1-13-17(14(2)29)25-26-28(13)20-23-18(21)22-19(24-20)27(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1-2H3,(H2,21,22,23,24)
InChIKey BXKPXOLOHHWWCM-UHFFFAOYSA-N
Molecular Weight 386.419 g/mol
SMILES C=1C=CC(N(C2=NC(N3N=NC(=C3C)C(=O)C)=NC(=N2)N)C=2C=CC=CC2)=CC1