2-Methyl-3-nitrobenzyl alcohol(23876-13-3) MS
Product Name2-Methyl-3-nitrobenzyl alcohol
CAS23876-13-3
Molecular FormulaC8H9NO3
Molecular Weight167.16
InChIInChI=1S/C8H9NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-4,10H,5H2,1H3
InChIKey QJANIQCEDPJNLO-UHFFFAOYSA-N
SmilesC1(CO)=CC=CC([N+]([O-])=O)=C1C
-
MassMS-NW-6689 2-methyl-3-nitrobenzyl alcohol C8H9NO3 (Mass of molecular ion: 167)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.8 26.0 1.1 27.0 7.2 28.0 6.0 29.0 4.3 30.0 3.6 31.0 6.6 37.0 1.4 38.0 3.5 39.0 21.7 40.0 2.8 41.0 10.3 42.0 1.7 43.0 37.2 44.0 1.3 50.0 7.4 51.0 18.8 52.0 5.8 53.0 9.1 54.0 1.1 55.0 3.3 60.0 1.0 61.0 1.8 62.0 5.3 63.0 15.0 64.0 6.0 65.0 34.6 66.0 7.8 67.0 3.2 74.0 2.8 75.0 3.2 76.0 3.6 77.0 50.4 78.0 16.0 79.0 5.3 80.0 1.2 81.0 1.5 86.0 1.2 87.0 1.1 89.0 13.6 90.0 9.1 91.0 62.0 92.0 21.4 93.0 10.2 94.0 7.4 95.0 1.0 102.0 3.8 103.0 6.8 104.0 7.9 105.0 8.5 106.0 3.2 107.0 2.6 108.0 1.1 118.0 2.8 119.0 6.5 120.0 12.3 121.0 4.6 122.0 1.5 132.0 100.0 133.0 9.9 134.0 1.1 135.0 1.4 148.0 1.4 149.0 26.5 150.0 48.2 151.0 5.0 152.0 3.7 167.0 11.2 168.0 1.1
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H9 N O3 0.041 g : 0.5 ml CDCl3 2-methyl-3-nitrobenzyl alcohol 
Assign. Shift(ppm)
A 7.69 B 7.63 C 7.324 D 4.757 E 2.415 F 2.17
Hz ppm Int.693.63 7.745 65 692.19 7.729 75 688.19 7.685 61 687.81 7.680 63 686.19 7.662 118 684.44 7.643 138 680.13 7.595 130 661.75 7.389 112 653.94 7.302 124 646.13 7.215 42 426.06 4.758 507 216.31 2.416 1000 194.56 2.173 134
in CDCl3
KBr disc
nujol mull
