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N-[4-amino-6-(chloromethyl)-1,3,5-triazin-2-yl]-N-(4-isopropylphenyl)amine
SpectraBase Compound ID HHb0Bt59xae
InChI InChI=1S/C13H16ClN5/c1-8(2)9-3-5-10(6-4-9)16-13-18-11(7-14)17-12(15)19-13/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKey NRERZNGUQRHAPZ-UHFFFAOYSA-N
Mol Weight 277.76 g/mol
Molecular Formula C13H16ClN5
Exact Mass 277.109423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IT5CRE0xLCd
Name N-[4-Amino-6-(chloromethyl)-1,3,5-triazin-2-yl]-N-(4-isopropylphenyl)amine
Comments Computed using HOSE algorithm
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Exact Mass 277.109423235 u
Formula C13H16ClN5
InChI InChI=1S/C13H16ClN5/c1-8(2)9-3-5-10(6-4-9)16-13-18-11(7-14)17-12(15)19-13/h3-6,8H,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKey NRERZNGUQRHAPZ-UHFFFAOYSA-N
Molecular Weight 277.759 g/mol
SMILES NC=1N=C(N=C(N1)CCl)NC=1C=CC(=CC1)C(C)C