4-(4-Nitrobenzyl)pyridine(1083-48-3) IR3
Product Name4-(4-Nitrobenzyl)pyridine
CAS1083-48-3
Molecular FormulaC12H10N2O2
Molecular Weight214.22
InChIInChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2
InChIKey MNHKUCBXXMFQDM-UHFFFAOYSA-N
SmilesC1=NC=CC(CC2=CC=C([N+]([O-])=O)C=C2)=C1
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MassMS-NW-2324 4-(p-nitrobenzyl)pyridine C12H10N2O2 (Mass of molecular ion: 214)
Source Temperature: 210 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.6 27.0 1.5 28.0 2.8 30.0 3.9 38.0 1.5 39.0 9.7 50.0 5.0 51.0 10.1 52.0 2.5 54.0 2.3 57.5 2.5 62.0 2.6 63.0 8.5 64.0 2.6 65.0 7.1 69.5 1.3 70.5 1.5 74.0 1.7 75.0 2.3 76.0 1.9 77.0 5.0 78.0 4.8 83.5 5.2 84.0 1.6 87.0 1.4 88.0 1.1 89.0 6.7 90.0 2.9 91.0 1.3 92.0 2.7 102.0 1.5 106.0 2.3 107.0 2.6 113.0 1.4 114.0 1.7 115.0 10.7 116.0 2.1 117.0 1.6 127.0 2.0 128.0 3.2 129.0 1.7 139.0 11.1 140.0 7.3 141.0 7.5 142.0 1.3 154.0 2.5 155.0 1.3 156.0 7.2 157.0 1.1 166.0 10.2 167.0 69.0 168.0 45.1 169.0 5.7 183.0 1.3 184.0 6.9 197.0 4.6 198.0 1.4 213.0 2.5 214.0 100.0 215.0 14.0 216.0 1.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H10 N2 O2 0.046 g : 0.5 ml CDCl3 4-(p-nitrobenzyl)pyridine 
Assign. Shift(ppm)
A 8.540 B 8.163 C 7.35 D 7.11 E 4.085
Hz ppm Int.768.00 8.576 561 766.38 8.558 361 763.56 8.526 357 761.94 8.508 642 738.38 8.245 71 735.94 8.218 603 733.88 8.195 211 729.19 8.142 205 727.13 8.119 747 724.69 8.092 106 664.81 7.424 82 664.13 7.416 63 662.38 7.396 641 660.31 7.373 195 655.63 7.321 155 653.50 7.297 568 651.75 7.278 75 651.13 7.271 78 639.13 7.137 530 638.50 7.130 363 637.50 7.119 336 634.75 7.088 309 633.13 7.070 503 365.88 4.086 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
