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5-Chloro-2-(3-methyl-5-methyl-1,2,4-triazolyl)benzophenone-tms

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5-Chloro-2-(3-methyl-5-methyl-1,2,4-triazolyl)benzophenone-tms
SpectraBase Compound ID K0QytNlICfB
InChI InChI=1S/C17H14ClN3O.CH4/c1-11-19-12(2)21(20-11)16-9-8-14(18)10-15(16)17(22)13-6-4-3-5-7-13;/h3-10H,1-2H3;1H4
InChIKey FFGHINXUBTZHER-UHFFFAOYSA-N
Mol Weight 327.82 g/mol
Molecular Formula C18H18ClN3O
Exact Mass 327.11384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4OfV8DSpg6
Name 5-Chloro-2-(3-methyl-5-methyl-1,2,4-triazolyl)benzophenone-tms
Comments Computed using HOSE algorithm
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Exact Mass 327.113839911 u
Formula C18H18ClN3O
InChI InChI=1S/C17H14ClN3O.CH4/c1-11-19-12(2)21(20-11)16-9-8-14(18)10-15(16)17(22)13-6-4-3-5-7-13;/h3-10H,1-2H3;1H4
InChIKey FFGHINXUBTZHER-UHFFFAOYSA-N
Molecular Weight 327.815 g/mol
Nominal Mass 327 u
SMILES C.c1cc(c(cc1Cl)C(=O)c1ccccc1)N1N=C(N=C1C)C