2-Bromo-6-nitrotoluene(55289-35-5) 1H NMR
Product Name2-Bromo-6-nitrotoluene
CAS55289-35-5
Molecular FormulaC7H6BrNO2
Molecular Weight216.03
InChIInChI=1S/C7H6BrNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
InChIKey LYTNSGFSAXWBCA-UHFFFAOYSA-N
SmilesC1(Br)=CC=CC([N+]([O-])=O)=C1C
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MassMS-IW-9452 2-bromo-6-nitrotoluene C7H6BrNO2 (Mass of molecular ion: 215)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.6 28.0 3.3 30.0 2.6 37.0 2.3 38.0 5.1 39.0 16.2 40.0 1.9 43.0 2.2 44.0 1.5 49.0 1.2 50.0 7.5 51.0 11.7 52.0 3.3 61.0 3.8 62.0 11.8 63.0 37.2 64.0 10.4 65.0 2.8 74.0 3.5 75.0 5.3 76.0 2.6 77.0 12.0 78.0 19.1 79.0 1.6 85.0 1.4 86.0 2.9 87.0 2.8 88.0 2.2 89.0 56.9 90.0 100.0 91.0 29.0 92.0 5.2 105.0 1.1 106.0 2.8 117.0 1.8 119.0 18.2 120.0 1.8 143.0 5.2 145.0 4.9 157.0 1.0 168.0 1.3 169.0 11.3 170.0 18.0 171.0 12.7 172.0 16.6 173.0 1.8 198.0 66.0 199.0 5.8 200.0 64.4 201.0 5.6 215.0 19.6 216.0 1.8 217.0 19.0 218.0 1.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H6 Br N O2 0.037 g : 0.5 ml DMSO-d6 2-bromo-6-nitrotoluene 
Assign. Shift(ppm)
A 7.970 B 7.902 C 7.408 D 2.466
Hz ppm Int.3189.82 7.982 110 3188.96 7.980 119 3181.76 7.962 121 3180.91 7.960 129 3163.70 7.917 113 3162.84 7.915 109 3155.52 7.896 127 3154.66 7.894 118 2968.99 7.429 89 2968.38 7.428 86 2960.94 7.409 161 2960.33 7.408 157 2952.76 7.389 77 2952.27 7.388 75 985.60 2.467 1000
in DMSO-d6
KBr disc
nujol mull
