2-Nitrophenol(88-75-5) Raman
Product Name2-Nitrophenol
CAS88-75-5
Molecular FormulaC6H5NO3
Molecular Weight139.11
InChIInChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
InChIKey IQUPABOKLQSFBK-UHFFFAOYSA-N
SmilesC1(O)=CC=CC=C1[N+]([O-])=O
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MassMS-NW-8718 o-nitrophenol C6H5NO3 (Mass of molecular ion: 139)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
26.0 1.5 27.0 3.9 28.0 3.0 29.0 1.1 30.0 5.0 37.0 3.3 38.0 9.2 39.0 32.9 40.0 1.5 50.0 4.2 51.0 7.8 52.0 3.9 53.0 13.2 54.0 1.1 55.0 1.2 61.0 2.2 62.0 5.6 63.0 25.5 64.0 22.7 65.0 41.9 66.0 4.5 67.0 1.1 74.0 1.4 75.0 1.6 77.0 1.0 78.0 4.3 81.0 19.9 82.0 1.1 92.0 8.8 93.0 12.4 94.0 5.6 106.0 3.2 109.0 18.8 110.0 1.3 122.0 7.3 123.0 1.6 139.0 100.0 140.0 7.1
parameter in CDCl3
90 MHz in CDCl3
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1H NMR 300 MHz C6 H5 N O3 0.042 g : 0.5 ml CDCl3 o-nitrophenol 
Parameter ppm Hz
D(A) 10.57 D(B) 8.103 D(C) 7.575 D(D) 7.161 D(E) 6.995 J(A,B) 0.0 J(A,C) 0.4 J(A,D) 0.0 J(A,E) 0.0 J(B,C) 1.7 J(B,D) 0.4 J(B,E) 8.4 J(C,D) 8.5 J(C,E) 8.5 J(D,E) 1.5
Hz ppm Int.3170.99 10.570 1000 2435.98 8.120 258 2434.38 8.115 264 2427.60 8.092 281 2425.97 8.087 276 2282.05 7.607 120 2280.45 7.601 119 2273.56 7.579 268 2271.93 7.573 268 2265.08 7.550 152 2263.45 7.545 154 2153.09 7.177 282 2151.77 7.173 301 2144.61 7.149 249 2143.25 7.144 258 2107.52 7.025 192 2106.06 7.020 180 2099.10 6.997 346 2097.61 6.992 331 2090.65 6.969 164 2089.16 6.964 156
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1H NMR 89.56 MHz C6 H5 N O3 0.042 g : 0.5 ml CDCl3 o-nitrophenol Assign. Shift(ppm)
A 10.57 B 8.103 C 7.575 D 7.161 E 6.995 J(A,C)=0.4HZ. J(B,C)=1.7HZ. J(B,D)=0.4HZ. J(B,E)=8.4HZ. J(C,D)=8.5HZ. J(C,E)=8.5HZ. J(D,E)=1.5HZ.
Hz ppm Int.946.75 10.572 1000 946.31 10.567 962 731.25 8.165 174 730.88 8.161 169 729.56 8.147 203 729.19 8.142 177 722.81 8.071 202 722.44 8.067 193 721.06 8.052 235 688.50 7.688 86 688.06 7.683 83 686.81 7.669 87 686.38 7.664 80 681.50 7.610 107 681.06 7.605 102 679.63 7.589 188 678.31 7.574 133 677.88 7.570 123 673.00 7.515 168 672.56 7.510 161 671.25 7.495 159 670.81 7.491 143 645.75 7.211 226 645.31 7.206 246 644.25 7.194 330 643.88 7.190 299 637.25 7.116 182 636.81 7.111 182 635.75 7.099 195 635.38 7.095 181 633.94 7.079 284 632.50 7.063 213 626.94 7.001 208 625.50 6.985 399 624.06 6.969 199 618.44 6.906 173 617.00 6.890 157
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
ANION RADICAL, ELECTROLYTIC REDUCTION IN DMF
