834-12-8

莠滅凈(834-12-8)紅外圖譜(IR2)

產(chǎn)品名稱(chēng):莠滅凈

CAS:834-12-8

分子式:C9H17N5S

分子量: 227.33

InChI:InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)

InChIKey: RQVYBGPQFYCBGX-UHFFFAOYSA-N

Smiles:N1=C(SC)N=C(NC(C)C)N=C1NCC

Mass

MS2006-03102WA      
ametryn
C9H17N5S            (Mass of molecular ion:    227)

   Source Temperature: 250 °C
   Sample Temperature:  60 °C
   Direct, 70 eV

      15.0       1.4
      18.0       2.0
      27.0       5.3
      28.0       4.1
      29.0       4.8
      30.0       2.0
      39.0       1.5
      41.0       6.3
      42.0       7.4
      43.0      19.1
      44.0       9.0
      45.0       1.7
      46.0       1.0
      47.0       2.0
      53.0       1.2
      55.0       3.9
      56.0       1.2
      57.0       1.6
      58.0      27.3
      59.0       1.5
      67.0       1.3
      68.0      22.5
      69.0      14.7
      70.0       2.3
      71.0      12.1
      72.0       1.2
      74.0       8.9
      83.0       3.3
      85.0       5.9
      93.0       3.6
      94.0       3.7
      95.0       1.9
      96.0       8.6
      97.0       2.0
      98.5      16.2
      99.0       4.7
     100.0       1.8
     105.5       1.3
     106.0       6.0
     110.0       2.3
     111.0       4.1
     113.0       1.0
     116.0       1.8
     117.0       1.0
     122.0       6.0
     123.0       3.4
     127.0       1.9
     128.0       1.5
     136.0       1.6
     137.0       2.4
     138.0       9.1
     139.0       4.2
     140.0       1.2
     141.0       1.6
     142.0       5.2
     144.0       2.4
     152.0       4.3
     155.0      11.9
     156.0       3.1
     157.0       7.4
     164.0       1.0
     166.0       1.6
     169.0       6.4
     170.0      27.3
     171.0       5.6
     172.0       1.5
     181.0       5.4
     184.0      16.4
     185.0      24.4
     186.0       3.2
     187.0       1.2
     196.0       1.3
     198.0       1.0
     199.0       2.4
     210.0       1.3
     212.0      66.6
     213.0       7.7
     214.0       3.3
     226.0       8.3
     227.0     100.0
     228.0      14.1
     229.0       5.2

in CDCl3