5-METHYL-2-NITROBENZYL ALCOHOL(66424-92-8) MS
Product Name5-METHYL-2-NITROBENZYL ALCOHOL
CAS66424-92-8
Molecular FormulaC8H9NO3
Molecular Weight167.16
InChIInChI=1S/C8H9NO3/c1-6-2-3-8(9(11)12)7(4-6)5-10/h2-4,10H,5H2,1H3
InChIKey IKEYTRGLCHZQHO-UHFFFAOYSA-N
SmilesC1(CO)=CC(C)=CC=C1[N+]([O-])=O
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MassMS-NW-6668 5-methyl-2-nitrobenzyl alcohol C8H9NO3 (Mass of molecular ion: 167)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
17.0 3.3 18.0 14.9 26.0 1.3 27.0 11.8 28.0 10.1 29.0 6.6 30.0 7.0 31.0 5.1 32.0 1.2 37.0 1.9 38.0 4.8 39.0 34.3 40.0 4.7 41.0 17.1 42.0 1.6 43.0 4.4 44.0 1.5 45.0 1.1 47.0 1.9 50.0 10.2 51.0 24.3 52.0 10.2 53.0 16.0 54.0 2.9 55.0 4.2 61.0 2.6 62.0 7.6 63.0 20.6 64.0 6.7 65.0 69.7 66.0 32.1 67.0 6.9 68.0 1.0 74.0 3.3 75.0 3.4 76.0 3.8 77.0 63.3 78.0 44.3 79.0 18.9 80.0 2.7 81.0 3.5 86.0 1.8 87.0 1.8 89.0 14.9 90.0 8.5 91.0 99.7 92.0 24.4 93.0 81.9 94.0 16.0 95.0 1.6 102.0 2.1 103.0 4.0 104.0 100.0 105.0 13.2 106.0 10.2 107.0 8.3 108.0 1.8 109.0 1.2 118.0 5.6 119.0 22.1 120.0 6.2 121.0 5.7 122.0 3.8 132.0 1.0 133.0 3.2 134.0 2.5 135.0 4.1 148.0 3.0 149.0 8.7 150.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H9 N O3 0.042 g : 0.5 ml CDCl3 5-methyl-2-nitrobenzyl alcohol 
Assign. Shift(ppm)
A 8.010 B 7.517 C 7.25 D 4.936 E 2.456 F 2.43
Hz ppm Int.722.06 8.063 175 713.63 7.969 222 674.00 7.526 126 673.63 7.522 133 673.31 7.518 133 672.75 7.512 144 672.38 7.508 143 653.69 7.299 86 653.25 7.294 88 652.81 7.290 75 651.94 7.280 81 644.94 7.202 67 643.63 7.187 63 642.88 7.179 54 442.06 4.936 624 220.00 2.457 1000 214.56 2.396 74 213.44 2.384 57
in CDCl3
KBr disc
nujol mull
