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2-Chloro-4-(diallylamino)-6-[4-(2,6-dimethylphenyl)piperazinyl]-1,3,5-triazine
SpectraBase Compound ID LU5TBsZlCKG
InChI InChI=1S/C21H27ClN6/c1-5-10-27(11-6-2)20-23-19(22)24-21(25-20)28-14-12-26(13-15-28)18-16(3)8-7-9-17(18)4/h5-9H,1-2,10-15H2,3-4H3
InChIKey QDCFMWFAUVNCSO-UHFFFAOYSA-N
Mol Weight 398.94 g/mol
Molecular Formula C21H27ClN6
Exact Mass 398.198573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6dpC8YMP7d
Name 2-Chloro-4-(diallylamino)-6-[4-(2,6-dimethylphenyl)piperazinyl]-1,3,5-triazine
Comments Computed using HOSE algorithm
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Exact Mass 398.198572593 u
Formula C21H27ClN6
InChI InChI=1S/C21H27ClN6/c1-5-10-27(11-6-2)20-23-19(22)24-21(25-20)28-14-12-26(13-15-28)18-16(3)8-7-9-17(18)4/h5-9H,1-2,10-15H2,3-4H3
InChIKey QDCFMWFAUVNCSO-UHFFFAOYSA-N
Molecular Weight 398.942 g/mol
SMILES C=1(N=C(N=C(N1)N(CC=C)CC=C)N1CCN(CC1)C=1C(=CC=CC1C)C)Cl