4-HYDROXY-3-NITROBIPHENYL(885-82-5) 13C NMR
Product Name4-HYDROXY-3-NITROBIPHENYL
CAS885-82-5
Molecular FormulaC12H9NO3
Molecular Weight215.2
InChIInChI=1S/C12H9NO3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H
InChIKey JDDNJJBXFOLPKX-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(O)C([N+]([O-])=O)=C1
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MassMS-IW-4094 3-nitro-4-biphenylol C12H9NO3 (Mass of molecular ion: 215)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 1.1 18.0 5.6 29.0 3.0 31.0 8.6 32.0 4.2 39.0 1.5 51.0 2.1 53.0 2.6 62.0 1.2 63.0 3.3 65.0 1.0 69.0 1.4 69.5 1.9 70.0 2.0 75.0 1.2 77.0 2.1 84.0 2.5 88.0 1.0 89.0 2.5 91.0 1.1 102.0 1.0 107.5 3.6 113.0 1.7 114.0 1.9 115.0 9.8 116.0 1.6 127.0 1.8 128.0 2.2 139.0 19.2 140.0 9.1 141.0 12.0 142.0 1.7 151.0 1.2 152.0 1.8 153.0 2.0 154.0 1.2 157.0 4.5 168.0 10.3 169.0 10.9 170.0 1.9 181.0 3.5 185.0 1.7 198.0 2.1 215.0 100.0 216.0 13.8 217.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H9 N O3 0.031 g : 0.5 ml CDCl3 3-nitro-4-biphenylol 
Assign. Shift(ppm)
A 10.58 B 8.301 C 7.816 D 7.539 E 7.453 F 7.381 G 7.225
Hz ppm Int.4226.68 10.576 1000 3319.09 8.305 462 3316.65 8.299 461 3129.58 7.831 261 3127.29 7.826 249 3120.88 7.810 279 3118.44 7.803 269 3020.02 7.557 125 3019.26 7.555 336 3017.88 7.552 443 3015.75 7.546 144 3012.70 7.539 187 3012.08 7.537 241 3010.86 7.534 562 3010.25 7.533 428 3009.49 7.531 478 3007.51 7.526 94 2987.98 7.477 97 2987.21 7.475 212 2986.15 7.472 305 2984.31 7.468 123 2981.11 7.460 118 2979.74 7.456 353 2979.13 7.455 620 2977.60 7.451 276 2972.87 7.439 169 2971.34 7.435 297 2970.89 7.434 257 2969.21 7.430 62 2956.85 7.399 157 2955.47 7.396 292 2954.10 7.392 159 2950.44 7.383 110 2948.61 7.378 221 2948.15 7.377 248 2945.86 7.372 82 2942.20 7.362 67 2940.98 7.359 108 2939.61 7.356 62 2892.15 7.237 533 2883.45 7.215 503
in CDCl3
KBr disc
nujol mull
