3-Nitrobenzyl alcohol(619-25-0) IR2
Product Name3-Nitrobenzyl alcohol
CAS619-25-0
Molecular FormulaC7H7NO3
Molecular Weight153.14
InChIInChI=1S/C7H7NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2
InChIKey CWNPOQFCIIFQDM-UHFFFAOYSA-N
SmilesC1(CO)=CC=CC([N+]([O-])=O)=C1
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MassMS-NW-4696 3-nitrobenzyl alcohol C7H7NO3 (Mass of molecular ion: 153)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 3.9 26.0 1.2 27.0 7.6 28.0 5.2 29.0 6.3 30.0 5.0 31.0 8.8 37.0 2.6 38.0 4.1 39.0 14.7 40.0 1.6 41.0 4.0 46.0 1.1 49.0 1.2 50.0 15.3 51.0 31.4 52.0 8.3 53.0 10.9 53.5 1.1 55.0 2.7 61.0 1.7 62.0 3.7 63.0 12.6 64.0 3.5 65.0 4.2 66.0 2.1 67.0 2.1 73.0 1.1 74.0 5.4 75.0 5.4 76.0 8.5 77.0 100.0 78.0 32.4 79.0 14.5 80.0 1.2 89.0 58.9 90.0 9.6 91.0 2.6 92.0 2.0 94.0 3.6 95.0 1.1 104.0 1.5 105.0 18.8 106.0 31.2 107.0 36.2 108.0 14.8 109.0 1.1 121.0 2.1 124.0 6.2 125.0 1.4 135.0 1.0 136.0 33.9 137.0 4.4 150.0 1.9 151.0 1.4 152.0 6.7 153.0 28.9 154.0 2.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H7 N O3 0.02 ml : 0.5 ml CDCl3 3-nitrobenzyl alcohol 
Assign. Shift(ppm)
A 2.55 B 4.797 C 7.519 D 7.668 E 8.10 F 8.19
Hz ppm Int.735.31 8.211 194 734.56 8.202 265 733.88 8.195 251 732.94 8.184 240 732.25 8.177 202 731.63 8.170 148 730.94 8.162 151 729.38 8.145 149 721.75 8.059 179 721.19 8.053 160 686.06 7.661 174 685.25 7.652 199 684.44 7.643 291 683.88 7.637 194 683.00 7.627 144 679.19 7.584 278 678.56 7.577 271 671.44 7.498 277 671.00 7.493 265 429.81 4.800 1000 429.25 4.793 988 227.69 2.543 576
in CDCl3
CCl4 solution
liquid film
