5-CHLORO-2-NITROBENZYL ALCOHOL(73033-58-6) 13C NMR
Product Name5-CHLORO-2-NITROBENZYL ALCOHOL
CAS73033-58-6
Molecular FormulaC7H6ClNO3
Molecular Weight187.58
InChIInChI=1S/C7H6ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-3,10H,4H2
InChIKey ULYZTHQGJXPEFT-UHFFFAOYSA-N
SmilesC1(CO)=CC(Cl)=CC=C1[N+]([O-])=O
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MassMS-NW-7884 5-chloro-2-nitrobenzyl alcohol C7H6ClNO3 (Mass of molecular ion: 187)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
17.0 1.0 18.0 4.2 26.0 1.2 27.0 6.8 28.0 7.1 29.0 13.4 30.0 11.4 31.0 10.9 36.0 1.6 37.0 3.0 38.0 7.0 39.0 15.9 40.0 1.3 45.0 2.1 47.0 6.5 49.0 2.3 50.0 27.4 51.0 58.4 52.0 11.6 53.0 4.1 55.0 2.9 61.0 5.5 62.0 11.8 63.0 27.9 64.0 4.9 65.0 18.7 66.0 2.7 72.0 1.1 73.0 12.0 74.0 21.0 75.0 75.5 76.0 17.1 77.0 75.2 78.0 100.0 79.0 8.2 80.0 1.8 84.0 3.2 85.0 7.4 86.0 5.6 87.0 6.9 88.0 2.7 89.0 13.1 90.0 35.2 91.0 5.5 92.0 1.1 93.0 4.9 94.0 9.3 97.0 1.8 98.0 18.5 99.0 17.4 100.0 7.8 101.0 6.2 104.0 1.2 105.0 3.3 106.0 4.7 109.0 1.2 110.0 8.9 111.0 61.0 112.0 17.7 113.0 92.8 114.0 12.9 115.0 25.4 116.0 2.8 123.0 2.2 124.0 8.6 125.0 69.3 126.0 15.6 127.0 24.6 128.0 5.6 129.0 1.2 134.0 1.5 138.0 5.6 139.0 24.3 140.0 5.4 141.0 14.6 142.0 4.2 143.0 3.0 144.0 1.1 153.0 2.4 154.0 2.4 155.0 3.0 156.0 1.2 157.0 1.0 169.0 6.5 170.0 1.8 171.0 2.5 187.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 Cl N O3 0.041 g : 0.5 ml CDCl3 5-chloro-2-nitrobenzyl alcohol 
Assign. Shift(ppm)
A 8.070 B 7.806 C 7.425 D 5.010 E 2.58 J(A,C)=8.7HZ. J(B,C)=2.3HZ.
Hz ppm Int.727.81 8.127 332 719.06 8.029 442 700.25 7.819 287 698.06 7.795 312 669.94 7.481 228 667.56 7.454 197 661.19 7.383 174 658.88 7.357 152 448.75 5.011 1000 231.38 2.584 223
in CDCl3
KBr disc
nujol mull
