Nitroethane(79-24-3) 1H NMR
Product NameNitroethane
CAS79-24-3
Molecular FormulaC2H5NO2
Molecular Weight75.07
InChIInChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3
InChIKey MCSAJNNLRCFZED-UHFFFAOYSA-N
SmilesCC[N+]([O-])=O
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MassMS-NW-0669 nitroethane C2H5NO2 (Mass of molecular ion: 75)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.1 15.0 2.2 18.0 4.3 26.0 5.6 27.0 55.5 28.0 5.9 29.0 100.0 30.0 11.7 39.0 1.5 40.0 2.5 41.0 6.1 43.0 2.3 44.0 1.4 46.0 2.7
parameter in CDCl3
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1H NMR 300 MHz C2 H5 N O2 9.6 mol% in CDCl3 nitroethane 
Parameter ppm Hz
D(A) 1.577 D(B) 4.428 J(A,B) 7.37
Hz ppm Int.1339.50 4.465 163 1332.15 4.440 490 1324.78 4.416 502 1317.43 4.391 170 480.44 1.601 505 473.09 1.577 1000 465.71 1.552 488
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
