2-(2H-benzotriazol-2-yl)-5-methylphenol(4998-48-5) 1H NMR
Product Name2-(2H-benzotriazol-2-yl)-5-methylphenol
CAS4998-48-5
Molecular FormulaC13H11N3O
Molecular Weight225.25
InChIInChI=1S/C13H11N3O/c1-9-6-7-12(13(17)8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
InChIKey RTFZCRWZPPIBGX-UHFFFAOYSA-N
SmilesC1(O)=CC(C)=CC=C1N1N=C2C=CC=CC2=N1
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MassMS-IW-3462 2-(2H-benzotriazol-2-yl)-5-methylphenol C13H11N3O (Mass of molecular ion: 225)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.5 27.0 2.8 28.0 2.2 38.0 1.6 39.0 8.4 40.0 2.2 41.0 2.4 50.0 2.2 51.0 8.1 52.0 4.7 53.0 2.7 54.0 1.9 63.0 2.8 64.0 3.4 65.0 11.6 66.0 13.2 67.0 1.7 76.0 1.3 77.0 4.9 78.0 7.8 79.0 1.1 91.0 5.7 92.0 7.0 93.0 24.9 94.0 2.3 105.0 3.0 106.0 1.4 107.0 1.0 112.5 3.1 119.0 1.1 120.0 2.2 141.0 1.1 154.0 7.7 155.0 1.1 167.0 2.9 168.0 9.4 169.0 1.8 182.0 1.4 196.0 6.2 197.0 1.3 224.0 6.6 225.0 100.0 226.0 15.5 227.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H11 N3 O 0.036 g : 0.5 ml CDCl3 2-(2H-benzotriazol-2-yl)-5-methylphenol 
Assign. Shift(ppm)
A 11.09 B 8.179 C *1 7.916 D *1 7.896 E *2 7.46 F *2 7.44 G 7.131 J 7.083 K 2.381
Hz ppm Int.4434.05 11.095 527 3269.96 8.183 146 3269.50 8.181 149 3268.59 8.179 157 3268.13 8.178 152 3168.95 7.930 32 3167.27 7.926 44 3164.37 7.918 419 3161.32 7.911 268 3157.65 7.902 251 3154.75 7.894 446 3151.86 7.887 54 3150.18 7.883 42 2987.21 7.475 37 2985.69 7.471 54 2982.79 7.464 439 2979.58 7.456 231 2976.23 7.448 258 2973.02 7.440 387 2970.28 7.433 51 2968.60 7.429 34 2856.60 7.148 57 2854.46 7.143 56 2848.21 7.127 121 2846.07 7.122 127 2833.56 7.091 332 2825.16 7.070 154 951.84 2.382 1000
KBr disc
nujol mull
