2,6-DIMETHYL-4-NITROPHENOL(2423-71-4) MS
Product Name2,6-DIMETHYL-4-NITROPHENOL
CAS2423-71-4
Molecular FormulaC8H9NO3
Molecular Weight167.16
InChIInChI=1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKey FNORUNUDZNWQFF-UHFFFAOYSA-N
SmilesC1(O)=C(C)C=C([N+]([O-])=O)C=C1C
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MassMS-IW-9534 2,6-dimethyl-4-nitrophenol C8H9NO3 (Mass of molecular ion: 167)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 1.1 18.0 5.3 27.0 7.7 28.0 2.3 29.0 2.2 30.0 4.3 31.0 2.1 38.0 2.7 39.0 17.6 40.0 3.1 41.0 9.3 43.0 8.4 50.0 4.0 51.0 11.6 52.0 5.1 53.0 17.7 54.0 1.2 55.0 5.2 62.0 3.0 63.0 7.2 64.0 2.4 65.0 15.0 66.0 3.1 67.0 6.4 68.0 1.0 69.0 2.1 74.0 1.3 75.0 1.4 76.0 1.0 77.0 58.8 78.0 8.9 79.0 4.8 81.0 10.1 89.0 2.0 90.0 1.1 91.0 45.1 92.0 5.1 93.0 10.9 94.0 2.9 102.0 1.2 103.0 6.2 107.0 1.5 108.0 1.3 109.0 6.3 119.0 2.6 120.0 5.2 121.0 16.9 122.0 1.9 123.0 1.0 137.0 27.6 138.0 2.8 150.0 1.2 151.0 3.0 166.0 1.6 167.0 100.0 168.0 9.9 169.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H9 N O3 0.039 g : 0.5 ml DMSO-d6 2,6-dimethyl-4-nitrophenol 
Assign. Shift(ppm)
A 7.880 B 3.5 C 2.256
Hz ppm Int.3149.17 7.880 306 901.86 2.257 1000
in DMSO-d6
KBr disc
nujol mull
