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Product Name2,4-Dinitrotoluene
CAS121-14-2
Molecular FormulaC7H6N2O4
Molecular Weight182.13
InChIInChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
InChIKey RMBFBMJGBANMMK-UHFFFAOYSA-N
SmilesC1([N+]([O-])=O)=C(C)C=CC([N+]([O-])=O)=C1
MS
13CNMR
IR1
IR2
IR3
Raman
Mass
MS-NW-4799 2,4-dinitrotoluene C7H6N2O4 (Mass of molecular ion: 182)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 2.5 28.0 4.5 29.0 1.2 30.0 22.9 37.0 1.4 38.0 3.4 39.0 16.3 40.0 2.8 43.0 1.1 46.0 1.3 50.0 5.9 51.0 12.3 52.0 10.6 53.0 2.7 61.0 2.0 62.0 6.8 63.0 30.5 64.0 12.3 65.0 3.9 66.0 2.8 74.0 2.4 75.0 3.0 76.0 2.2 77.0 9.9 78.0 15.4 79.0 4.7 80.0 3.3 86.0 1.8 87.0 1.8 89.0 56.5 90.0 25.3 91.0 7.2 92.0 2.0 94.0 1.3 105.0 3.8 106.0 5.9 107.0 4.8 108.0 2.2 118.0 11.0 119.0 18.6 120.0 2.0 135.0 1.0 136.0 1.4 148.0 2.5 149.0 1.4 165.0 100.0 166.0 9.2 167.0 1.1 182.0 8.6
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
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2,4-Dinitrotoluene(121-14-2) Raman Atlas of Related Products