51-52-5

丙硫氧嘧啶(51-52-5)核磁图(¹HNMR)

产品名称:丙硫氧嘧啶

CAS:51-52-5

分子式:C7H10N2OS

分子量: 170.23

InChI:InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)

InChIKey: KNAHARQHSZJURB-UHFFFAOYSA-N

Smiles:C1(=S)NC(CCC)=CC(=O)N1

Mass

MS-NW-0217          
6-propyl-2-thiouracil
C7H10N2OS           (Mass of molecular ion:    170)

   Source Temperature: 240 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      18.0       1.9
      26.0       1.6
      27.0      10.8
      28.0       7.6
      29.0       4.6
      38.0       2.1
      39.0      15.0
      40.0       7.6
      41.0      14.9
      42.0       3.5
      43.0       6.0
      45.0       2.3
      51.0       1.7
      52.0       2.7
      53.0       3.6
      54.0       7.1
      55.0      10.6
      56.0       1.1
      59.0       3.1
      60.0       5.0
      65.0       1.7
      66.0       1.4
      67.0       3.9
      68.0      33.3
      69.0       5.2
      70.0       4.9
      71.0       1.6
      72.0       2.1
      80.0       1.1
      81.0       1.2
      82.0       3.7
      83.0      29.4
      84.0       2.1
      86.0       2.0
      95.0       1.1
      96.0      10.5
     100.0       1.5
     110.0       3.9
     112.0       6.5
     113.0       6.9
     114.0      23.9
     115.0       1.7
     116.0       1.3
     125.0       1.6
     127.0       3.7
     137.0       3.0
     138.0       1.1
     141.0       2.6
     142.0      46.6
     143.0       3.6
     144.0       2.5
     155.0      11.1
     156.0       1.0
     169.0       3.7
     170.0     100.0
     171.0       9.4
     172.0       5.2

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₇ H₁₀ N₂ O S	0.044 g : 0.5 ml DMSO-d₆
6-propyl-2-thiouracil

    Assign.     Shift(ppm)

      A            12.2
      B             5.677
      C             2.330
      D             1.55
      E             0.89

     Hz     ppm     Int.

   1095.03  12.227    182
    508.51   5.678    768
    221.48   2.473     26
    220.89   2.467     28
    216.87   2.422    199
    209.86   2.344    391
    202.00   2.256    307
    158.17   1.767     36
    150.56   1.682    138
    142.96   1.597    211
    139.71   1.560     54
    137.06   1.531    179
    135.35   1.512    237
    130.57   1.458     76
    128.34   1.434    160
    121.77   1.360     48
     86.39   0.965    551
     79.55   0.889   1000
     72.03   0.805    311

in DMSO-d6