14816-18-3

辛硫磷(14816-18-3)质谱(MS)

产品名称:辛硫磷

CAS:14816-18-3

分子式:C12H15N2O3PS

分子量: 298.3

InChI:InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3

InChIKey: ATROHALUCMTWTB-UHFFFAOYSA-N

Smiles:P(=S)(OCC)(OCC)ON=C(C#N)C1=CC=CC=C1

¹HNMR

¹³CNMR

IR1

Mass

MS2001-00760WA      
phoxim
C12H15N2O3PS        (Mass of molecular ion:    298)

   Source Temperature: 205 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      26.0       1.2
      27.0      11.0
      28.0       2.6
      29.0      22.0
      39.0       3.3
      43.0       3.6
      45.0      10.6
      47.0       4.1
      50.0       7.6
      51.0      28.1
      52.0       2.6
      54.0       2.1
      55.0       1.1
      59.0       1.5
      60.0       5.9
      61.0       5.0
      62.0       2.3
      63.0       2.8
      64.0       1.5
      65.0      13.2
      74.0       1.8
      75.0       3.7
      76.0      10.0
      77.0     100.0
      78.0       7.1
      79.0       1.4
      80.0       1.1
      81.0      15.5
      87.0       1.0
      88.0       4.4
      89.0       5.4
      90.0       1.6
      91.0       3.2
      93.0       4.5
      94.0       2.0
      96.0       4.6
      97.0      58.2
      98.0       1.0
      99.0       2.8
     102.0       1.4
     103.0      17.9
     104.0       7.3
     105.0       1.5
     109.0      12.1
     110.0       2.3
     113.0      13.5
     114.0       3.5
     115.0      12.0
     116.0       3.7
     118.0       1.1
     119.0      10.8
     120.0       1.0
     121.0       2.1
     124.0       1.3
     125.0      38.2
     126.0       1.9
     127.0       2.0
     129.0      65.4
     130.0       9.5
     131.0       2.6
     134.0       4.4
     135.0       9.2
     136.0       1.2
     137.0       1.4
     140.0       2.0
     141.0      21.1
     142.0       1.8
     143.0       1.4
     146.0       3.5
     153.0       7.4
     155.0       1.8
     156.0       4.7
     157.0      32.9
     158.0       4.4
     161.0       9.1
     162.0       2.4
     166.0       1.1
     168.0       2.6
     169.0      10.1
     170.0       1.4
     177.0       1.5
     193.0       1.4
     265.0       1.1
     298.0      11.1
     299.0       2.2

in CDCl3