4-(4-Nitrophenyl)butyric acid(5600-62-4) Raman
Product Name4-(4-Nitrophenyl)butyric acid
CAS5600-62-4
Molecular FormulaC10H11NO4
Molecular Weight209.2
InChIInChI=1S/C10H11NO4/c12-10(13)3-1-2-8-4-6-9(7-5-8)11(14)15/h4-7H,1-3H2,(H,12,13)
InChIKey WQMLUHZFRFCQDB-UHFFFAOYSA-N
SmilesC1(CCCC(O)=O)=CC=C([N+]([O-])=O)C=C1
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MassMS-NW-6881 4-(p-nitrophenyl)butyric acid C10H11NO4 (Mass of molecular ion: 209)
Source Temperature: 210 °C Sample Temperature: 140 °C Direct, 75 eV
27.0 4.8 28.0 1.9 29.0 1.4 30.0 11.1 38.0 1.2 39.0 9.2 40.0 1.3 41.0 3.9 42.0 2.8 43.0 1.8 45.0 4.9 50.0 4.0 51.0 7.9 52.0 2.6 53.0 1.4 55.0 3.7 57.5 1.0 58.0 2.3 60.0 47.9 61.0 1.4 62.0 2.3 63.0 7.6 64.0 2.9 65.0 5.5 73.0 1.1 74.0 1.2 75.0 1.5 76.0 1.8 77.0 12.0 78.0 13.8 79.0 2.4 89.0 12.6 90.0 10.9 91.0 13.4 92.0 3.2 102.0 2.2 103.0 16.4 104.0 8.4 105.0 1.7 106.0 5.0 107.0 2.9 115.0 8.9 116.0 4.2 117.0 6.5 118.0 1.4 119.0 4.9 120.0 5.8 132.0 1.1 133.0 16.8 134.0 1.8 136.0 3.3 146.0 1.9 149.0 13.5 150.0 100.0 151.0 9.4 161.0 1.5 162.0 1.6 163.0 3.1 191.0 26.8 192.0 35.3 193.0 4.9 209.0 30.0 210.0 3.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H11 N O4 0.042 g : 0.5 ml CDCl3 4-(p-nitrophenyl)butyric acid 
Assign. Shift(ppm)
A 11.42 B 8.14 C 7.35 D 2.79 E 2.41 F 2.03
Hz ppm Int.1021.46 11.406 126 736.91 8.229 113 734.44 8.201 769 732.56 8.180 279 729.99 8.151 72 727.69 8.126 310 725.63 8.103 1000 723.41 8.078 184 665.31 7.429 144 663.00 7.403 833 660.95 7.380 283 658.22 7.350 89 656.16 7.327 262 654.20 7.305 664 652.40 7.285 146 651.38 7.274 249 258.83 2.891 266 255.75 2.856 68 255.32 2.851 69 251.56 2.809 504 247.03 2.759 108 246.69 2.755 106 243.79 2.723 444 225.07 2.514 206 223.54 2.496 222 221.74 2.476 99 221.23 2.471 100 220.80 2.466 102 220.29 2.460 106 216.70 2.420 623 213.62 2.386 128 212.60 2.374 126 210.63 2.352 508 209.69 2.342 487 206.70 2.308 76 206.10 2.302 71 205.59 2.296 62 194.31 2.170 149 192.60 2.151 143 191.06 2.134 66 190.72 2.130 68 187.73 2.097 267 187.05 2.089 252 185.51 2.072 318 181.58 2.028 183 178.93 1.998 397 175.51 1.960 82 175.17 1.956 83 173.72 1.940 117 172.44 1.926 182 171.84 1.919 181 170.98 1.910 152
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
