50-66-8

6-(Methylthio)purine(50-66-8) ¹H NMR

Product Name6-(Methylthio)purine

CAS 50-66-8

Molecular FormulaC6H6N4S

Molecular Weight166.2

InChIInChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)

InChIKey UIJIQXGRFSPYQW-UHFFFAOYSA-N

SmilesN1C2C(=NC=NC=2SC)NC=1

Request For Quotation

¹HNMR

IR1

IR2

6-(Methylthio)purine(50-66-8) <sup>1</sup>H NMR
Mass

MS-NW-1915          
6-(methylthio)purine
C6H6N4S             (Mass of molecular ion:    166)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      15.0       1.7
      17.0       1.3
      18.0       7.1
      27.0       1.7
      28.0      20.1
      38.0       5.4
      39.0       4.2
      40.0       2.4
      41.0       1.4
      43.0       1.3
      44.0       2.1
      45.0       8.4
      46.0       2.3
      47.0       2.4
      53.0       4.3
      55.0       1.0
      57.0       1.1
      58.0       1.5
      59.0       1.5
      64.0       1.9
      65.0       9.7
      66.0      16.1
      67.0       3.5
      70.0       7.6
      71.0       3.4
      80.0       1.2
      83.0       1.9
      85.0       1.0
      86.0       2.1
      92.0       8.1
      93.0      42.2
      94.0       6.2
      97.0       4.9
     106.0       4.4
     111.0       2.5
     119.0       6.8
     120.0      23.5
     121.0      14.3
     122.0       1.1
     124.0       1.8
     133.0       1.1
     134.0       2.7
     138.0       1.6
     165.0      32.1
     166.0     100.0
     167.0      10.2
     168.0       4.9