6938-94-9

己二酸二異丙酯(6938-94-9)質(zhì)譜(MS)

產(chǎn)品名稱:己二酸二異丙酯

CAS:6938-94-9

分子式:C12H22O4

分子量: 230.3

InChI:InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3

InChIKey: ZDQWESQEGGJUCH-UHFFFAOYSA-N

Smiles:C(OC(C)C)(=O)CCCCC(OC(C)C)=O

Mass

MS-NW-1666          
diisopropyl adipate
C12H22O4            (Mass of molecular ion:    230)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.6
      18.0       2.0
      27.0      12.7
      28.0       3.5
      29.0       4.8
      31.0       1.5
      39.0       6.6
      40.0       1.5
      41.0      22.7
      42.0       7.4
      43.0      52.8
      44.0       1.9
      45.0       3.9
      54.0       1.5
      55.0      17.4
      56.0       4.7
      57.0       1.6
      58.0       1.3
      59.0      11.0
      60.0       9.4
      61.0       1.7
      68.0       1.0
      69.0       3.3
      73.0      14.3
      74.0       1.4
      82.0       1.2
      83.0      11.5
      84.0       4.5
      87.0      18.3
      99.0       1.0
     100.0      25.1
     101.0      18.9
     102.0      14.7
     103.0       1.8
     111.0      22.8
     112.0       3.4
     128.0      15.7
     129.0     100.0
     130.0       6.8
     142.0       8.1
     144.0       2.8
     146.0       3.1
     147.0       2.0
     170.0       2.1
     171.0      22.3
     172.0       2.4
     188.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₂₂ O₄	0.04 ml : 0.5 ml CDCl₃
diisopropyl adipate

    Assign.     Shift(ppm)

      A             5.000
      B             2.28
      C             1.65
      D             1.227

     Hz     ppm     Int.

    454.38   5.074     55
    448.13   5.004     76
    441.81   4.934     59
    204.75   2.287     82
    203.75   2.276     49
    199.13   2.224     33
    198.13   2.213     39
    154.50   1.726     36
    150.94   1.686     42
    147.38   1.646     88
    144.25   1.611     36
    143.38   1.601     38
    113.00   1.262   1000
    106.75   1.192    952

in CDCl3