产品名称 硝基甲烷
CAS号75-52-5
分子式CH3NO2
分子量61.04
InChIInChI=1S/CH3NO2/c1-2(3)4/h1H3
InChIKeyLYGJENNIWJXYER-UHFFFAOYSA-N
SmilesC[N+]([O-])=O
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Mass
MS-NW-1662 nitromethane CH3NO2 (Mass of molecular ion: 61)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 2.4 15.0 35.8 18.0 1.7 27.0 5.4 28.0 6.6 29.0 6.5 30.0 100.0 31.0 1.3 32.0 1.0 42.0 1.3 43.0 4.0 44.0 5.3 45.0 6.1 46.0 52.3 60.0 7.6 61.0 97.5 62.0 1.6
400 MHz in CDCl3
parameter in CDCl3
Assign. Shift(ppm) A 4.341
Hz ppm Int.
1734.99 4.342 1000
Parameter ppm Hz D(A) 5.95 FRANKISS,S.G. J.PHYS.CHEM. 67, 752 (1963) J(A,C-13):146.7HZ.
1785.00 5.950 1000
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
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硝基甲烷(75-52-5)核磁图(13CNMR) 相关产品图谱