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
Mass
MS-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 |
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Assign. Shift(ppm) |
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
2-Methyl-3-nitrobenzyl alcohol(23876-13-3) 13C NMR Atlas of Related Products
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