6-ANILINOPURINE(1210-66-8) MS
Product Name6-ANILINOPURINE
CAS1210-66-8
Molecular FormulaC11H9N5
Molecular Weight211.22
InChIInChI=1S/C11H9N5/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h1-7H,(H2,12,13,14,15,16)
InChIKey WCZNSRQVTJYMRQ-UHFFFAOYSA-N
SmilesN1C2C(=NC=NC=2NC2=CC=CC=C2)NC=1
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MassMS-NW-7135 6-anilinopurine C11H9N5 (Mass of molecular ion: 211)
Source Temperature: 200 °C Sample Temperature: 160 °C Direct, 75 eV
18.0 4.2 27.0 1.2 28.0 8.8 29.0 1.5 38.0 1.6 39.0 3.9 40.0 1.5 50.0 2.3 51.0 7.7 52.0 1.7 53.0 2.0 54.0 1.3 63.0 1.5 64.0 1.5 65.0 6.1 66.0 3.5 67.0 1.3 76.0 2.1 77.0 14.2 78.0 1.9 78.5 1.5 91.0 1.2 92.0 7.9 93.0 3.5 102.0 1.5 103.0 3.6 104.0 3.4 105.0 1.4 105.5 5.3 108.0 1.0 115.0 1.8 119.0 3.1 129.0 2.6 131.0 1.2 142.0 1.3 156.0 4.8 157.0 2.6 183.0 3.2 184.0 1.1 209.0 1.1 210.0 100.0 211.0 65.3 212.0 8.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C11 H9 N5 0.038 g : 0.5 ml DMSO-d6 6-anilinopurine 
Assign. Shift(ppm)
A *1 13.1 B *1 9.8 C 8.419 D 8.317 E 7.99 F 7.349 G 7.046
Hz ppm Int.3906.15 9.774 149 3905.72 9.773 149 3364.88 8.420 1000 3324.28 8.318 803 3197.57 8.001 407 3189.88 7.982 428 2947.34 7.375 60 2945.42 7.371 356 2943.50 7.366 134 2937.94 7.352 493 2936.87 7.349 480 2931.32 7.335 145 2929.40 7.330 389 2927.47 7.326 70 2824.26 7.067 107 2823.19 7.065 194 2821.91 7.061 129 2815.72 7.046 350 2809.52 7.030 98 2808.45 7.028 166 2807.38 7.025 100
DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
