(R)-(+)-2-(ALPHA-METHYLBENZYLAMINO)-5-NITROPYRIDINE(64138-65-4) IR1
Product Name(R)-(+)-2-(ALPHA-METHYLBENZYLAMINO)-5-NITROPYRIDINE
CAS64138-65-4
Molecular FormulaC13H13N3O2
Molecular Weight243.26
InChIInChI=1S/C13H13N3O2/c1-10(11-5-3-2-4-6-11)15-13-8-7-12(9-14-13)16(17)18/h2-10H,1H3,(H,14,15)/t10-/m1/s1
InChIKey RAKMWGKBCDCUDX-SNVBAGLBSA-N
SmilesC1(N[C@@H](C2=CC=CC=C2)C)=NC=C([N+]([O-])=O)C=C1
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MassMS-NW-9426 R-(+)-N-(alpha-methylbenzyl)-5-nitro-2-pyridinamine C13H13N3O2 (Mass of molecular ion: 243)
Source Temperature: 200 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.0 27.0 3.5 28.0 2.9 38.0 1.2 39.0 3.1 42.0 4.2 43.0 1.1 50.0 1.9 51.0 7.3 52.0 2.6 53.0 1.3 59.5 1.2 63.0 1.5 64.0 1.2 65.0 1.8 66.0 2.7 76.0 1.3 77.0 20.2 78.0 11.3 79.0 18.2 80.0 1.4 90.0 1.1 91.0 2.4 93.0 1.8 98.5 1.4 102.0 1.0 103.0 11.9 104.0 17.3 105.0 100.0 106.0 9.0 118.0 1.3 119.0 2.0 120.0 25.6 121.0 2.5 123.0 3.9 124.0 1.3 127.0 1.0 139.0 3.7 150.0 1.6 154.0 1.7 164.0 1.0 166.0 3.7 181.0 4.3 182.0 16.4 183.0 2.3 195.0 1.4 196.0 2.2 228.0 60.0 229.0 8.6 242.0 3.5 243.0 49.4 244.0 8.5
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C13 H13 N3 O2 0.038 g : 0.5 ml CDCl3 R-(+)-N-(alpha-methylbenzyl)-5-nitro-2-pyridinamine 
Assign. Shift(ppm)
A 8.961 B 8.097 C 7.34 D 7.276 E 6.240 F 6.13 G 4.92 J 1.613
Hz ppm Int.3582.76 8.965 165 3580.17 8.959 160 3241.27 8.111 111 3238.53 8.104 106 3231.96 8.087 115 3229.22 8.081 110 2940.67 7.359 55 2937.93 7.352 378 2933.50 7.341 1000 2928.62 7.328 50 2915.19 7.295 71 2911.99 7.287 60 2911.07 7.285 79 2906.65 7.273 85 2904.05 7.267 35 2901.31 7.260 96 2498.63 6.253 73 2489.32 6.229 72 648.19 1.622 596 641.48 1.606 589
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1H NMR 89.56 MHz C13 H13 N3 O2 0.05 g : 0.5 ml CDCl3 R-(+)-N-(alpha-methylbenzyl)-5-nitro-2-pyridinamine Assign. Shift(ppm)
A 8.928 B 8.067 C 7.32 D 6.4 E 6.253 F 4.934 G 1.602
Hz ppm Int.800.81 8.942 146 798.31 8.914 153 728.75 8.138 103 726.06 8.107 95 719.44 8.034 112 716.75 8.004 106 661.44 7.386 87 658.06 7.348 236 655.50 7.320 1000 652.31 7.284 192 650.13 7.260 88 647.38 7.229 56 646.63 7.221 44 645.50 7.208 37 576.69 6.440 36 575.81 6.430 39 575.31 6.424 39 575.00 6.421 38 574.69 6.417 38 574.19 6.412 38 573.38 6.403 36 572.69 6.395 36 572.38 6.392 36 571.81 6.385 37 571.50 6.382 39 570.81 6.374 40 570.38 6.369 41 570.06 6.366 42 568.81 6.352 45 567.81 6.340 45 567.25 6.334 45 564.81 6.307 170 555.44 6.202 142 449.13 5.015 39 449.00 5.014 39 448.81 5.012 39 442.19 4.938 59 435.44 4.862 41 435.13 4.859 40 146.94 1.641 523 143.69 1.605 55 140.13 1.565 503
in CDCl3
KBr disc
nujol mull
