4-CHLORO-2-NITROBENZYL ALCOHOL(22996-18-5) Raman
Product Name4-CHLORO-2-NITROBENZYL ALCOHOL
CAS22996-18-5
Molecular FormulaC7H6ClNO3
Molecular Weight187.58
InChIInChI=1S/C7H6ClNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-3,10H,4H2
InChIKey OAHGNOHGHOTZQU-UHFFFAOYSA-N
SmilesC1(CO)=CC=C(Cl)C=C1[N+]([O-])=O
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MassMS-NW-7883 4-chloro-2-nitrobenzyl alcohol C7H6ClNO3 (Mass of molecular ion: 187)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 2.4 18.0 10.1 26.0 1.5 27.0 6.6 28.0 7.7 29.0 13.2 30.0 13.0 31.0 10.7 36.0 1.2 37.0 4.2 38.0 7.6 39.0 14.7 40.0 1.3 43.0 1.4 45.0 1.7 47.0 5.7 49.0 3.0 50.0 25.7 51.0 59.6 52.0 11.4 53.0 4.0 55.0 2.3 60.0 1.3 61.0 5.9 62.0 10.4 63.0 23.8 64.0 4.6 65.0 15.8 66.0 2.3 72.0 1.3 73.0 11.8 74.0 19.6 75.0 74.7 76.0 16.5 77.0 83.7 78.0 100.0 79.0 7.9 84.0 4.0 85.0 7.3 86.0 5.9 87.0 6.8 88.0 2.9 89.0 13.1 90.0 32.5 91.0 4.7 92.0 1.2 93.0 8.0 94.0 10.1 95.0 1.1 97.0 1.8 98.0 17.0 99.0 15.0 100.0 6.9 101.0 5.6 105.0 2.7 106.0 2.7 109.0 1.2 110.0 9.3 111.0 78.5 112.0 25.6 113.0 97.7 114.0 14.5 115.0 24.5 116.0 2.8 123.0 1.7 124.0 4.6 125.0 28.3 126.0 12.8 127.0 12.9 128.0 5.6 129.0 1.7 138.0 9.2 139.0 55.2 140.0 10.9 141.0 22.0 142.0 7.6 143.0 2.0 144.0 2.0 153.0 3.1 154.0 4.3 155.0 6.0 156.0 1.9 157.0 2.2 158.0 1.1 169.0 48.2 170.0 5.1 171.0 15.4 172.0 1.6 201.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 Cl N O3 0.048 g : 0.5 ml CDCl3 4-chloro-2-nitrobenzyl alcohol 
Assign. Shift(ppm)
A 8.066 B 7.71 C 7.641 D 4.956 E 2.89
Hz ppm Int.723.25 8.076 282 721.56 8.057 291 697.81 7.792 77 697.31 7.786 75 689.44 7.699 399 689.00 7.694 387 686.75 7.669 398 684.81 7.647 329 678.38 7.575 72 676.44 7.553 71 443.94 4.957 1000 258.94 2.892 394
in CDCl3
KBr disc
nujol mull
