6-Benzylaminopurine(1214-39-7) IR2

Product Name6-Benzylaminopurine

CAS 1214-39-7

Molecular FormulaC12H11N5

Molecular Weight225.25

InChIInChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)

InChIKey NWBJYWHLCVSVIJ-UHFFFAOYSA-N

SmilesN1C2C(=NC=NC=2NCC2=CC=CC=C2)NC=1

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6-Benzylaminopurine(1214-39-7) IR2
Mass

MS-NW-6888          
6-(benzylamino)purine
C12H11N5            (Mass of molecular ion:    225)

   Source Temperature: 210 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       1.2
      18.0       5.7
      27.0       1.7
      28.0      13.1
      30.0       2.3
      38.0       1.2
      39.0       5.4
      40.0       1.7
      41.0       2.0
      43.0       1.2
      50.0       1.5
      51.0       4.1
      52.0       1.5
      53.0       2.3
      54.0       1.2
      63.0       3.0
      64.0       1.2
      65.0      14.7
      66.0       6.4
      67.0       3.0
      68.0       1.0
      77.0       5.1
      78.0       1.6
      79.0       8.9
      80.0       1.2
      89.0       3.8
      90.0       1.7
      91.0      36.9
      92.0       6.0
      93.0      11.3
      94.0       3.9
     104.0       2.8
     105.0       1.1
     106.0      82.9
     107.0       7.2
     111.5       1.5
     112.5       2.7
     116.0       1.2
     119.0       9.5
     120.0      15.4
     121.0       7.3
     142.0       1.1
     148.0       9.7
     149.0       1.0
     169.0       1.2
     170.0       1.1
     197.0       3.4
     198.0       1.3
     208.0       1.1
     209.0       3.6
     224.0      38.9
     225.0     100.0
     226.0      14.6
     227.0       1.1

400 MHz in DMSO-d6

6-Benzylaminopurine(1214-39-7) IR2

¹H NMR	399.65 MHz
C₁₂ H₁₁ N₅	0.037 g : 0.5 ml DMSO-d₆
6-(benzylamino)purine

    Assign.     Shift(ppm)

      A     *1     13.0
      B     *1      8.2
      C     *2      8.23
      D     *2      8.16
      E             7.376
      F             7.306
      G             7.220
      J             3.475

     Hz     ppm     Int.

   5199.57  13.011     82
   3290.31   8.233    387
   3260.39   8.159    466
   2952.69   7.389    608
   2945.21   7.370   1000
   2927.26   7.325    502
   2919.99   7.307    877
   2912.30   7.288    480
   2899.48   7.256     36
   2897.56   7.251     35
   2891.79   7.236    286
   2884.52   7.218    373
   2877.26   7.200    146
   1389.16   3.476    643

in DMSO-d6