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6-Chloro-N-phenyl-N'-(p-tolyl)-[1,3,5]-triazine-2,4-diamine

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6-Chloro-N-phenyl-N'-(p-tolyl)-[1,3,5]-triazine-2,4-diamine
SpectraBase Compound ID BCuiOSi8DOA
InChI InChI=1S/C16H14ClN5/c1-11-7-9-13(10-8-11)19-16-21-14(17)20-15(22-16)18-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)
InChIKey QNNOXYPXMGGSAT-UHFFFAOYSA-N
Mol Weight 311.78 g/mol
Molecular Formula C16H14ClN5
Exact Mass 311.093773 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bm5BRbbc3x
Name 6-Chloro-N-phenyl-N'-(p-tolyl)-[1,3,5]-triazine-2,4-diamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.093773171 u
Formula C16H14ClN5
InChI InChI=1S/C16H14ClN5/c1-11-7-9-13(10-8-11)19-16-21-14(17)20-15(22-16)18-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)
InChIKey QNNOXYPXMGGSAT-UHFFFAOYSA-N
Molecular Weight 311.776 g/mol
SMILES C1(=NC(NC=2C=CC(=CC2)C)=NC(=N1)Cl)NC1=CC=CC=C1