2,4-滴丁酯(94-80-4)質譜(MS)

產品名稱:2,4-滴丁酯

CAS:94-80-4

分子式:C12H14Cl2O3

分子量: 277.14

InChI:InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3

InChIKey: UQMRAFJOBWOFNS-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)COC1=CC=C(Cl)C=C1Cl

¹HNMR

¹³CNMR

IR1

Mass

MS2001-00908WA      
2,4-PA-butyl
C12H14Cl2O3         (Mass of molecular ion:    276)

   Source Temperature: 230 °C
   Sample Temperature: 300 °C
   Reservoir, 70 eV

      18.0       1.4
      27.0       7.7
      28.0       3.1
      29.0      32.7
      31.0       1.3
      39.0       6.7
      41.0      47.9
      42.0       7.2
      43.0       6.5
      44.0       2.2
      50.0       2.7
      51.0       1.7
      53.0       1.3
      55.0       9.1
      56.0       8.3
      57.0      98.5
      58.0       4.2
      62.0       2.4
      63.0       7.5
      73.0       4.3
      74.0       6.2
      75.0       9.7
      76.0       1.1
      77.0       2.1
      83.0       1.2
      84.0       1.8
      85.0       1.8
      97.0       2.0
      98.0       3.1
      99.0       1.9
     100.0       1.1
     107.0       1.1
     109.0      17.6
     110.0       5.1
     111.0      21.2
     112.0       5.2
     113.0       5.9
     114.0       1.3
     126.0       2.1
     128.0       1.8
     133.0       9.7
     135.0       6.2
     137.0       1.0
     139.0       1.4
     141.0       1.8
     143.0       1.2
     145.0      27.9
     146.0       2.8
     147.0      24.2
     148.0       2.0
     149.0       7.2
     156.0       1.3
     161.0       9.9
     162.0      49.9
     163.0       9.5
     164.0      31.7
     165.0       3.1
     166.0       5.1
     173.0       1.4
     175.0      61.4
     176.0      13.7
     177.0      39.3
     178.0       8.6
     179.0       6.6
     180.0       1.4
     184.0       4.3
     185.0     100.0
     186.0       9.9
     187.0      31.8
     188.0       2.8
     220.0      32.7
     221.0       3.1
     222.0      21.0
     223.0       2.0
     224.0       3.5
     241.0       1.0
     276.0      84.2
     277.0      10.9
     278.0      54.2
     279.0       7.0
     280.0       9.0
     281.0       1.3

in CDCl3