2,3-DIMETHYL-2,3-DINITROBUTANE(3964-18-9) MS
Product Name2,3-DIMETHYL-2,3-DINITROBUTANE
CAS3964-18-9
Molecular FormulaC6H12N2O4
Molecular Weight176.17
InChIInChI=1S/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3
InChIKey DWCLXOREGBLXTD-UHFFFAOYSA-N
SmilesCC(C)([N+]([O-])=O)C(C)([N+]([O-])=O)C
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MassMS-NW-6356 2,3-dimethyl-2,3-dinitrobutane C6H12N2O4 (Mass of molecular ion: 176)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.9 18.0 2.5 27.0 6.8 28.0 5.6 29.0 7.2 30.0 12.7 31.0 1.2 38.0 1.0 39.0 14.0 40.0 3.7 41.0 44.9 42.0 7.4 43.0 9.2 51.0 1.3 53.0 3.8 54.0 1.0 55.0 18.2 56.0 8.3 57.0 100.0 58.0 5.8 59.0 6.5 65.0 1.1 67.0 3.8 69.0 45.8 70.0 2.8 83.0 9.0 84.0 19.8 85.0 4.7 100.0 16.0 101.0 1.2
parameter in CDCl3
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1H NMR 300 MHz C6 H12 N2 O4 0.049 g : 0.5 ml CDCl3 2,3-dimethyl-2,3-dinitrobutane 
Parameter ppm Hz
D(A) 1.737
Hz ppm Int.521.10 1.737 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
