105-55-5

1,3-二乙基硫脲(105-55-5)核磁图(¹HNMR)

产品名称:1,3-二乙基硫脲

CAS:105-55-5

分子式:C5H12N2S

分子量: 132.23

InChI:InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)

InChIKey: FLVIGYVXZHLUHP-UHFFFAOYSA-N

Smiles:N(CC)C(NCC)=S

Mass

MS-NW-1999          
1,3-diethyl-2-thiourea
C5H12N2S            (Mass of molecular ion:    132)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       1.8
      18.0       4.5
      27.0       7.4
      28.0       8.1
      29.0      10.7
      30.0       8.0
      41.0       1.0
      42.0       3.9
      43.0      13.3
      44.0     100.0
      45.0       3.0
      55.0       7.3
      56.0       4.0
      59.0       2.9
      60.0      21.7
      61.0       1.4
      62.0       1.1
      69.0       1.6
      71.0      11.9
      72.0       1.2
      76.0       1.3
      83.0       3.4
      88.0       5.2
      89.0       1.8
      98.0       2.7
      99.0       5.1
     103.0       1.9
     131.0       3.6
     132.0      60.5
     133.0       4.7
     134.0       3.0

90 MHz in D2O

parameter in D2O

¹H NMR	89.56 MHz
C₅ H₁₂ N₂ S	saturated in D₂O
1,3-diethyl-2-thiourea

    Assign.     Shift(ppm)

      B             3.39
      C             1.164
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

    315.56   3.524     48
    308.19   3.442    136
    301.00   3.361    148
    293.94   3.283     62
    111.38   1.244    472
    104.19   1.164   1000
     96.88   1.082    403

¹H NMR	300 MHz
C₅ H₁₂ N₂ S	saturated in D₂O
1,3-diethyl-2-thiourea

    Parameter     ppm  Hz

      D(A)         3.39
      D(B)         1.164
       J(A,B)          7.2

     Hz     ppm     Int.

   1027.79   3.426     48
   1020.65   3.402    131
   1013.48   3.378    133
   1006.34   3.354     51
    356.38   1.188    511
    349.18   1.164   1000
    341.98   1.140    487

in D2O