4-METHOXY-3-NITROBIPHENYL(15854-73-6) MS
Product Name4-METHOXY-3-NITROBIPHENYL
CAS15854-73-6
Molecular FormulaC13H11NO3
Molecular Weight229.23
InChIInChI=1S/C13H11NO3/c1-17-13-8-7-11(9-12(13)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey HVYOIIIEAVPMCR-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(OC)C([N+]([O-])=O)=C1
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MassMS-IW-7210 4-methoxy-3-nitrobiphenyl C13H11NO3 (Mass of molecular ion: 229)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
51.0 1.5 63.0 2.5 69.0 1.4 69.5 1.7 70.0 2.5 75.0 1.1 76.0 2.3 77.0 2.3 84.0 1.4 89.0 1.4 102.0 2.6 113.0 1.3 114.0 1.3 114.5 3.0 115.0 2.7 126.0 1.0 127.0 3.2 128.0 6.2 129.0 1.0 139.0 15.0 140.0 7.0 141.0 5.3 151.0 5.9 152.0 29.1 153.0 33.0 154.0 5.5 155.0 5.0 156.0 2.2 168.0 12.1 169.0 16.9 170.0 2.3 171.0 2.1 181.0 1.0 182.0 11.1 183.0 1.9 199.0 1.7 214.0 1.0 229.0 100.0 230.0 14.6 231.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H11 N O3 0.038 g : 0.5 ml CDCl3 4-methoxy-3-nitrobiphenyl 
Assign. Shift(ppm)
A 8.065 B 7.751 C 7.531 D 7.444 E 7.368 F 7.151 G 3.985
Hz ppm Int.3224.49 8.069 184 3222.05 8.063 189 3103.27 7.765 106 3100.95 7.760 103 3094.60 7.744 117 3092.29 7.738 110 3016.24 7.548 110 3014.77 7.544 154 3012.82 7.539 45 3008.91 7.529 90 3007.81 7.527 182 3007.20 7.525 154 3006.59 7.524 167 2983.28 7.465 34 2982.54 7.463 68 2981.57 7.461 107 2979.74 7.456 39 2976.44 7.448 43 2974.37 7.443 207 2972.90 7.439 95 2968.14 7.427 56 2966.67 7.424 104 2951.42 7.386 50 2950.20 7.382 90 2948.85 7.379 50 2944.95 7.369 35 2942.75 7.364 93 2935.55 7.346 38 2862.43 7.163 150 2853.64 7.141 141 1592.53 3.985 1000
in CDCl3
KBr disc
nujol mull
