产品名称 吡唑
CAS号288-13-1
分子式C3H4N2
分子量68.08
InChIInChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
InChIKeyWTKZEGDFNFYCGP-UHFFFAOYSA-N
SmilesN1C=CC=N1
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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
Parameter ppm Hz D(A) 7.74 D(B) 6.10 J(A,A') 0.0 J(A,B) 2.1 J(A',B) 2.1 D(C) 13.60 WILLIAMS,J.K. J.ORG.CHEM. 29, 1377 (1964)
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
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