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3-(PARA-CHLOROBENZOYL)-4,5,6,7-TETRAHYDRO-[1,2,3]-TRIAZOLO-[1,5-A]-PYRIMIDINE
SpectraBase Compound ID B3Jqz4oaocc
InChI InChI=1S/C12H11ClN4O/c13-9-4-2-8(3-5-9)11(18)10-12-14-6-1-7-17(12)16-15-10/h2-5,14H,1,6-7H2
InChIKey RDOCTKJTZZDFAP-UHFFFAOYSA-N
Mol Weight 262.7 g/mol
Molecular Formula C12H11ClN4O
Exact Mass 262.062139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hTp6Kgc40t
Name 3-(p-Chloro-benzoyl)-4,5,6,7-tetrahydro[1,2,3]triazo[1,5-a]pyrimidine
Alternate Name(s) (4-chlorophenyl)(4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrimidin-3-yl)methanone
Comments Less than 3 mono-isotopic peaks
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Formula C12H11ClN4O
InChI InChI=1S/C12H11ClN4O/c13-9-4-2-8(3-5-9)11(18)10-12-14-6-1-7-17(12)16-15-10/h2-5,14H,1,6-7H2
InChIKey RDOCTKJTZZDFAP-UHFFFAOYSA-N
Molecular Weight 262.700 g/mol
SMILES N1CCC[n]2nnc(c12)C(c1ccc(cc1)Cl)=O
SPLASH splash10-03e9-0090000000-1cbef5204f76fc5e7073
Source of Spectrum J-57-189-9
Wiley ID 1265437