3,5-Dinitrobenzamide(121-81-3) MS
Product Name3,5-Dinitrobenzamide
CAS121-81-3
Molecular FormulaC7H5N3O5
Molecular Weight211.13
InChIInChI=1S/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11)
InChIKey UUKWKUSGGZNXGA-UHFFFAOYSA-N
SmilesC(N)(=O)C1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1
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MassMS-NW-7013 3,5-dinitrobenzamide C7H5N3O5 (Mass of molecular ion: 211)
Source Temperature: 200 °C Sample Temperature: 160 °C Direct, 75 eV
17.0 1.0 18.0 4.3 28.0 3.0 30.0 9.8 37.0 1.8 38.0 2.8 39.0 1.2 44.0 25.2 50.0 12.1 51.0 1.6 52.0 1.9 53.0 1.3 61.0 1.9 62.0 4.2 63.0 8.4 64.0 4.6 65.0 1.0 73.0 3.1 74.0 23.1 75.0 62.9 76.0 12.9 77.0 1.1 79.0 1.2 90.0 1.7 91.0 7.2 92.0 3.0 100.0 1.3 101.0 1.8 102.0 5.5 103.0 11.6 104.0 1.0 107.0 1.2 118.0 6.5 119.0 10.3 120.0 4.8 121.0 1.3 137.0 1.2 148.0 5.3 149.0 31.5 150.0 2.9 165.0 14.4 166.0 1.6 168.0 1.7 193.0 2.2 194.0 2.1 195.0 100.0 196.0 8.8 197.0 1.5 211.0 89.1 212.0 8.4 213.0 1.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H5 N3 O5 0.035 g : 0.5 ml DMSO-d6 3,5-dinitrobenzamide 
Assign. Shift(ppm)
A 9.057 B 8.957 C *1 8.65 D *1 8.01
Hz ppm Int.3621.02 9.061 935 3619.00 9.056 1000 3582.00 8.963 309 3579.99 8.958 500 3577.79 8.953 239 3458.92 8.655 158 3200.83 8.010 161
in DMSO-d6
KBr disc
nujol mull
