64-77-7

甲苯磺丁脲(64-77-7)质谱(MS)

产品名称:甲苯磺丁脲

CAS:64-77-7

分子式:C12H18N2O3S

分子量: 270.35

InChI:InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)

InChIKey: JLRGJRBPOGGCBT-UHFFFAOYSA-N

Smiles:C1(S(NC(NCCCC)=O)(=O)=O)=CC=C(C)C=C1

IR1

IR2

Mass

MS-IW-6771          
1-butyl-3-tosylurea
C12H18N2O3S         (Mass of molecular ion:    270)

   Source Temperature: 170 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       2.1
      27.0       2.8
      28.0       3.3
      29.0       2.7
      30.0      71.8
      31.0       1.5
      39.0       7.3
      41.0       5.5
      42.0       1.3
      43.0       3.5
      44.0       2.5
      50.0       1.9
      51.0       3.2
      52.0       1.1
      55.0       1.0
      56.0       2.0
      57.0       1.4
      62.0       1.5
      63.0       5.1
      64.0       1.5
      65.0      17.9
      66.0       1.1
      72.0       4.1
      73.0      10.2
      74.0       1.2
      77.0       2.7
      78.0       1.1
      79.0       1.4
      89.0       6.2
      90.0       3.6
      91.0     100.0
      92.0       8.4
      99.0       5.2
     106.0       2.3
     107.0      11.5
     108.0      26.0
     109.0       2.1
     115.0       2.8
     125.0       4.3
     127.0       1.3
     139.0       1.0
     141.0       1.7
     142.0       1.3
     155.0      59.9
     156.0       5.2
     157.0       3.1
     171.0       2.8
     189.0       4.5
     191.0       1.6
     197.0      25.7
     198.0       2.9
     199.0       1.4
     206.0       3.6
     227.0       1.0
     231.0       2.1

KBr disc