3,5-DIMETHYLPYRAZOLE-1-CARBOXAMIDE(934-48-5) MS
Product Name3,5-DIMETHYLPYRAZOLE-1-CARBOXAMIDE
CAS934-48-5
Molecular FormulaC6H9N3O
Molecular Weight139.16
InChIInChI=1S/C6H9N3O/c1-4-3-5(2)9(8-4)6(7)10/h3H,1-2H3,(H2,7,10)
InChIKey AKRDSDDYNMVKCX-UHFFFAOYSA-N
SmilesN1(C(N)=O)C(C)=CC(C)=N1
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MassMS-IW-0078 3,5-dimethyl-1-pyrazolecarboxamide C6H9N3O (Mass of molecular ion: 139)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 1.2 27.0 2.2 28.0 4.6 29.0 1.1 30.0 1.6 39.0 5.2 40.0 2.0 41.0 6.8 42.0 6.6 43.0 7.6 44.0 4.3 52.0 1.4 53.0 1.1 54.0 9.3 55.0 5.4 56.0 1.8 65.0 2.1 66.0 1.2 67.0 2.7 68.0 3.0 69.0 2.8 81.0 11.0 95.0 92.0 96.0 100.0 97.0 8.8 139.0 50.0 140.0 6.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H9 N3 O 0.035 g : 0.5 ml CDCl3 3,5-dimethyl-1-pyrazolecarboxamide 
Assign. Shift(ppm)
A *1 7.15 B 5.916 C *1 5.80 D 2.547 E 2.204
Hz ppm Int.2364.38 5.917 180 1018.31 2.549 700 1017.33 2.546 695 880.86 2.205 1000
in CDCl3
KBr disc
nujol mull
