615-76-9

6-氮杂-2-硫代胸腺嘧啶(615-76-9)核磁图(¹HNMR)

产品名称:6-氮杂-2-硫代胸腺嘧啶

CAS:615-76-9

分子式:C4H5N3OS

分子量: 143.17

InChI:InChI=1S/C4H5N3OS/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)

InChIKey: NKOPQOSBROLOFP-UHFFFAOYSA-N

Smiles:N1=C(C)C(=O)NC(=S)N1

Mass

MS-NW-7962          
6-aza-2-thiothymine
C4H5N3OS            (Mass of molecular ion:    143)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       3.0
      17.0       1.6
      18.0       6.9
      26.0       6.5
      27.0      14.4
      28.0       7.2
      29.0       4.4
      32.0       4.2
      33.0       1.2
      40.0       2.5
      41.0       4.1
      42.0      13.3
      43.0       1.3
      44.0       1.3
      46.0       2.1
      47.0       4.7
      50.0       1.3
      53.0       2.0
      54.0       1.5
      55.0       4.7
      56.0      51.6
      57.0       6.7
      58.0       2.2
      59.0      12.2
      60.0      12.0
      69.0       5.8
      74.0       1.5
      82.0       1.3
      83.0       1.9
      84.0       1.9
      85.0       6.0
      86.0       1.3
     143.0     100.0
     144.0       7.0
     145.0       5.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₅ N₃ O S	0.038 g : 0.5 ml DMSO-d₆
6-aza-2-thiothymine

    Assign.     Shift(ppm)

      A     *1     13.28
      B     *1     13.04
      C             2.091

     Hz     ppm     Int.

   5308.55  13.284     58
   5211.96  13.042     38
    835.72   2.092   1000

in DMSO-d6

KBr disc

nujol mull

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6-氮杂-2-硫代胸腺嘧啶(615-76-9)核磁图(¹HNMR)