65-71-4

胸腺嘧啶(65-71-4)红外图谱(IR2)

产品名称:胸腺嘧啶

CAS:65-71-4

分子式:C5H6N2O2

分子量: 126.11

InChI:InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)

InChIKey: RWQNBRDOKXIBIV-UHFFFAOYSA-N

Smiles:C1(=O)NC=C(C)C(=O)N1

Mass

MS-NW-0639          
thymine
C5H6N2O2            (Mass of molecular ion:    126)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.0
      18.0       4.6
      26.0       6.3
      27.0      13.2
      28.0      34.3
      29.0       2.4
      37.0       1.1
      38.0       2.3
      39.0       6.3
      40.0       4.3
      42.0       1.5
      43.0       2.4
      44.0       3.7
      51.0       2.1
      52.0       7.3
      53.0       4.5
      54.0      30.7
      55.0      81.9
      56.0       6.1
      70.0       2.9
      71.0       2.4
      81.0       1.0
      82.0       7.9
      83.0      12.5
      84.0       1.8
      97.0       1.5
     124.0       1.1
     126.0     100.0
     127.0       6.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₅ H₆ N₂ O₂	0.040 g : 0.5 ml DMSO-d₆
thymine

    Assign.     Shift(ppm)

      A     *1     11.0
      B     *1     10.6
      C             7.276
      D             1.752

     Hz     ppm     Int.

   2908.50   7.278    293
   2907.22   7.275    279
    700.98   1.754   1000
    699.88   1.752    881

in D2O

in DMSO-d6

KBr disc

nujol mull

4880 A,200 M,powder

TI(III) COMPLEX IN C6H6/C6H5(CH3), 77K

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