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1-ALLYL-3-(2-HYDROXYETHYL)-2-THIOUREA

Product Name 1-ALLYL-3-(2-HYDROXYETHYL)-2-THIOUREA

CAS105-81-7

MFC6H12N2OS

MW160.24

Mass

MS-NW-0208          
1-allyl-3-(2-hydroxyethyl)thiourea
C6H12N2OS           (Mass of molecular ion:    160)

   Source Temperature: 220 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      15.0       5.7
      18.0       3.6
      19.0       2.9
      26.0       2.2
      27.0      12.6
      28.0      31.5
      29.0       4.8
      30.0      59.1
      31.0       6.9
      32.0       1.4
      33.0       1.1
      34.0       1.8
      38.0       2.2
      39.0      31.7
      40.0       3.2
      41.0     100.0
      42.0      15.8
      43.0      28.5
      44.0      15.6
      45.0      18.3
      46.0       2.1
      47.0       2.2
      52.0       1.2
      54.0       7.8
      55.0       8.4
      56.0      74.3
      57.0      50.7
      58.0      11.0
      59.0       8.5
      60.0      30.0
      61.0       3.1
      62.0       7.0
      67.0       2.7
      68.0       3.7
      69.0       7.1
      70.0       2.6
      71.0       2.4
      72.0       7.4
      73.0       8.5
      74.0       8.8
      75.0       2.5
      76.0       1.0
      77.0       4.2
      81.0       2.2
      82.0       2.2
      83.0      17.8
      84.0       2.3
      85.0       1.5
      86.0      17.3
      87.0       3.2
      88.0       2.0
      90.0       1.5
      95.0       2.1
      98.0       2.0
      99.0       3.5
     100.0       9.9
     101.0      32.5
     102.0       2.4
     103.0       3.2
     104.0       3.5
     109.0       1.1
     113.0       2.5
     114.0       3.3
     115.0      12.6
     116.0       3.2
     117.0       3.2
     125.0       2.2
     126.0       2.0
     127.0       8.4
     129.0       3.8
     131.0       1.0
     141.0       4.0
     142.0       5.0
     143.0       1.8
     145.0      80.1
     146.0       5.7
     147.0       4.1
     159.0       3.4
     160.0      97.2
     161.0       9.1
     162.0       5.1

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₁₂ N₂ O S	0.040 g : 0.5 ml DMSO-d₆
1-allyl-3-(2-hydroxyethyl)thiourea

    Assign.     Shift(ppm)

      A     *1      7.60
      B     *1      7.44
      C             5.837
      D             5.146
      E             5.071
      F             4.77
      G             4.05
      J             3.48
     
     SIGNAL J OVERLAPPED BY THE IMPURITY PEAK.

     Hz     ppm     Int.

   3038.82   7.604    184
   2974.37   7.443    243
   2348.63   5.877    166
   2343.63   5.865    173
   2338.26   5.851    213
   2337.16   5.849    179
   2331.54   5.834    241
   2326.29   5.821    210
   2321.17   5.809    221
   2065.92   5.170    394
   2064.33   5.166    434
   2062.62   5.162    256
   2048.71   5.127    376
   2047.12   5.123    421
   2045.53   5.119    265
   2032.59   5.086    432
   2031.01   5.082    456
   2022.34   5.061    401
   2020.75   5.057    412
   1907.96   4.775    203
   1617.92   4.049    372
   1394.29   3.489    760
   1389.40   3.477   1000
   1367.80   3.423    219

¹H NMR	89.56 MHz
C₆ H₁₂ N₂ O S	0.048 g : 0.5 ml DMSO-d₆
1-allyl-3-(2-hydroxyethyl)thiourea

    Assign.     Shift(ppm)

      A             7.5
      B             7.4
      C             5.85
      D             5.13
      E             5.09
      F             4.74
      G             4.045
      J             3.44

     Hz     ppm     Int.

    679.25   7.585    160
    663.94   7.414    157
    543.63   6.071     66
    538.31   6.011    127
    533.56   5.958    105
    528.44   5.901    154
    526.25   5.876     98
    523.31   5.844     81
    521.00   5.818    205
    516.31   5.765    168
    511.06   5.707    255
    505.94   5.650    135
    471.25   5.262    104
    469.50   5.243    300
    467.56   5.221    408
    465.94   5.203    171
    460.94   5.147    170
    459.44   5.130    378
    457.94   5.114    242
    457.44   5.108    237
    456.00   5.092    106
    453.88   5.068     96
    452.19   5.050    232
    450.19   5.027    317
    449.50   5.019    324
    448.63   5.010    226
    448.00   5.003    219
    447.56   4.998    222
    446.00   4.980     99
    424.19   4.737    253
    367.75   4.107    272
    366.25   4.090    186
    362.38   4.047    475
    358.31   4.001    191
    357.00   3.987    245
    355.50   3.970    134
    310.44   3.467   1000

KBr disc

nujol mull

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1-ALLYL-3-(2-HYDROXYETHYL)-2-THIOUREA(105-81-7)MS Atlas of Related Products

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