25444-82-0

1-金刚烷硫脲(25444-82-0)质谱(MS)

产品名称:1-金刚烷硫脲

CAS:25444-82-0

分子式:C11H18N2S

分子量: 210.34

InChI:InChI=1S/C11H18N2S/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)

InChIKey: LRWQENBAFMBIJR-UHFFFAOYSA-N

Smiles:N(C12CC3CC(CC(C3)C1)C2)C(N)=S

Mass

MS-IW-9300          
1-(1-adamantyl)-2-thiourea
C11H18N2S           (Mass of molecular ion:    210)

   Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       3.0
      27.0       4.1
      28.0       3.1
      29.0       3.2
      30.0       1.9
      32.0       1.7
      33.0       1.3
      34.0       3.4
      39.0       6.8
      40.0       1.2
      41.0      14.1
      42.0       3.5
      43.0       5.1
      44.0       1.1
      45.0       4.8
      51.0       1.9
      52.0       1.0
      53.0       4.7
      54.0       1.6
      55.0       7.9
      56.0       2.8
      57.0       3.0
      58.0       1.7
      59.0       1.3
      60.0       4.9
      65.0       3.6
      66.0       2.1
      67.0      13.5
      68.0       1.3
      69.0       3.2
      76.0       1.3
      77.0      16.3
      78.0       4.2
      79.0      31.2
      80.0       4.0
      81.0       9.2
      82.0       1.4
      84.0       1.3
      91.0      12.3
      92.0       8.3
      93.0      29.0
      94.0      14.8
      95.0       2.0
     105.0       3.2
     106.0       1.3
     107.0      11.1
     108.0       2.3
     114.0       2.2
     115.0       1.3
     119.0       3.7
     121.0       1.0
     133.0       1.4
     134.0       3.1
     135.0     100.0
     136.0      11.6
     150.0       3.5
     151.0       3.1
     167.0       1.4
     168.0       1.0
     176.0       1.3
     177.0       3.8
     178.0       1.7
     209.0      50.7
     210.0      47.9
     211.0       8.5
     212.0       2.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₈ N₂ S	0.039 g : 0.5 ml DMSO-d₆
1-(1-adamantyl)-2-thiourea

    Assign.     Shift(ppm)

      A             2.099
      B             2.016
      C             1.62

     Hz     ppm     Int.

   2711.43   6.785     23
    839.11   2.100   1000
    805.91   2.017    502
    660.40   1.653    115
    657.47   1.646     97
    647.46   1.621    933
    645.63   1.616    905
    632.20   1.582    115

in DMSO-d6