2,3-DIMETHYL-4-NITROPHENOL(19499-93-5) 13C NMR
Product Name2,3-DIMETHYL-4-NITROPHENOL
CAS19499-93-5
Molecular FormulaC8H9NO3
Molecular Weight167.16
InChIInChI=1S/C8H9NO3/c1-5-6(2)8(10)4-3-7(5)9(11)12/h3-4,10H,1-2H3
InChIKey DAEZHJNJHQAEPE-UHFFFAOYSA-N
SmilesC1(O)=CC=C([N+]([O-])=O)C(C)=C1C
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MassMS-KW-0721 2,3-dimethyl-4-nitrophenol C8H9NO3 (Mass of molecular ion: 167)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 4.0 26.0 1.3 27.0 9.6 28.0 6.9 29.0 2.3 30.0 2.9 38.0 3.3 39.0 19.5 40.0 3.5 41.0 12.6 42.0 2.2 43.0 10.5 50.0 5.4 51.0 14.5 52.0 7.0 53.0 17.9 54.0 4.1 55.0 13.6 61.0 1.2 62.0 2.9 63.0 7.9 64.0 2.6 65.0 20.8 66.0 7.3 67.0 20.2 68.0 2.9 69.0 3.4 74.0 1.9 75.0 2.4 76.0 1.9 77.0 57.0 78.0 10.5 79.0 9.2 80.0 8.1 81.0 6.5 82.0 2.6 89.0 2.4 90.0 1.4 91.0 39.4 92.0 8.8 93.0 7.1 94.0 19.9 95.0 17.5 96.0 2.5 102.0 1.7 103.0 5.5 104.0 13.6 105.0 4.5 106.0 4.3 107.0 4.4 108.0 2.5 109.0 1.8 119.0 4.5 120.0 8.5 121.0 7.8 122.0 14.9 123.0 6.5 132.0 1.3 133.0 4.3 135.0 1.5 137.0 3.0 150.0 100.0 151.0 10.5 152.0 1.1 167.0 71.7 168.0 7.5
in DMSO-d6
in DMSO-d6
KBr disk
Nujol
