Molecular FormulaC3H4N2
Molecular Weight68.08
InChIInChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
InChIKey WTKZEGDFNFYCGP-UHFFFAOYSA-N
SmilesN1C=CC=N1
Mass
MS-NW-5084 pyrazole C3H4N2 (Mass of molecular ion: 68)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 2.2 26.0 1.6 27.0 3.1 28.0 17.9 29.0 1.1 35.0 2.1 38.0 2.4 39.0 5.6 40.0 9.4 41.0 16.6 42.0 39.5 43.0 4.6 67.0 10.6 68.0 100.0 69.0 4.4
parameter in CCl4
1H NMR | 300 MHz |
C3 H4 N2 | 0.5 M in CCl4 |
pyrazole |
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Parameter ppm Hz |
Hz ppm Int.
4080.03 13.600 964 2323.06 7.744 992 2321.05 7.737 1000 1832.09 6.107 261 1830.08 6.100 498 1828.00 6.093 257
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
Pyrazole(288-13-1) IR1 Atlas of Related Products
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