3-Methylpyrazole(1453-58-3) Raman
Product Name3-Methylpyrazole
CAS1453-58-3
Molecular FormulaC4H6N2
Molecular Weight82.1
InChIInChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
InChIKey XKVUYEYANWFIJX-UHFFFAOYSA-N
SmilesN1C=CC(C)=N1
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MassMS-NW-4920 3-methylpyrazole C4H6N2 (Mass of molecular ion: 82)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.3 15.0 4.5 18.0 1.6 26.0 4.8 27.0 15.3 28.0 16.6 29.0 3.8 30.0 1.2 37.0 1.2 38.0 2.0 39.0 4.6 40.0 6.8 41.0 8.8 42.0 11.2 43.0 1.2 50.0 4.2 51.0 5.7 52.0 4.4 53.0 11.8 54.0 27.1 55.0 8.3 56.0 1.5 66.0 1.0 67.0 1.5 81.0 59.0 82.0 100.0 83.0 5.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H6 N2 0.02 ml : 0.5 ml CDCl3 3-methylpyrazole 
Assign. Shift(ppm)
A 10.88 B 7.480 C 6.057 D 2.339
Hz ppm Int.974.19 10.878 217 670.81 7.491 124 668.88 7.469 129 543.88 6.073 113 543.25 6.066 123 542.56 6.059 90 541.88 6.051 122 541.31 6.045 120 210.06 2.346 618 209.56 2.340 1000 209.06 2.335 695
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
