Aminopyrine(58-15-1) IR2
Product NameAminopyrine
CAS58-15-1
Molecular FormulaC13H17N3O
Molecular Weight231.29
InChIInChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
InChIKey RMMXTBMQSGEXHJ-UHFFFAOYSA-N
SmilesN1(C)C(C)=C(N(C)C)C(=O)N1C1=CC=CC=C1
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MassMS-NW-8084 4-dimethylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one C13H17N3O (Mass of molecular ion: 231)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 10.4 18.0 2.8 27.0 1.8 28.0 7.5 29.0 2.9 30.0 1.7 39.0 2.4 40.0 1.0 41.0 2.2 42.0 9.7 43.0 2.4 44.0 2.3 51.0 3.1 54.0 2.8 55.0 4.8 56.0 100.0 57.0 5.3 64.0 1.7 66.0 1.3 67.0 2.7 68.0 4.7 69.0 1.8 70.0 5.7 71.0 8.2 77.0 8.3 82.0 4.0 83.0 3.7 84.0 1.2 91.0 2.0 97.0 41.2 98.0 3.1 104.0 1.3 105.0 1.0 111.0 13.3 112.0 8.8 115.5 1.3 119.0 1.1 121.0 1.2 123.0 5.2 132.0 1.1 137.0 1.0 147.0 1.2 216.0 2.1 230.0 4.6 231.0 34.4 232.0 5.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C13 H17 N3 O 0.038 g : 0.5 ml CDCl3 4-dimethylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one 
Assign. Shift(ppm)
A 7.41 B 7.39 C 7.22 D 2.933 E 2.784 F 2.190 A,B AND C WERE CONFIRMED BY LAOCN PROGRAM.
Hz ppm Int.666.50 7.442 136 665.44 7.431 65 664.63 7.422 38 664.06 7.415 24 663.94 7.414 24 661.94 7.392 326 657.50 7.342 26 653.44 7.297 38 651.94 7.280 28 650.25 7.261 25 648.38 7.240 22 644.81 7.200 24 262.75 2.934 645 249.44 2.786 1000 196.19 2.191 611
KBr disc
nujol mull
