2104-19-0

壬二酸氢甲酯(2104-19-0)质谱(MS)

产品名称:壬二酸氢甲酯

CAS:2104-19-0

分子式:C10H18O4

分子量: 202.25

InChI:InChI=1S/C10H18O4/c1-14-10(13)8-6-4-2-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12)

InChIKey: VVWPSAPZUZXYCM-UHFFFAOYSA-N

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

Mass

MS-KW-0502          
methyl hydrogen azelate
C10H18O4            (Mass of molecular ion:    202)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       7.8
      18.0       1.5
      27.0       9.7
      28.0       3.2
      29.0      12.2
      31.0       4.5
      39.0       8.2
      40.0       1.8
      41.0      30.0
      42.0       9.7
      43.0      44.5
      44.0       2.4
      45.0      10.4
      53.0       3.2
      54.0       2.7
      55.0      68.5
      56.0       6.5
      57.0       7.5
      58.0       1.0
      59.0      26.4
      60.0      11.9
      67.0       7.3
      68.0       7.5
      69.0      27.5
      70.0       3.7
      71.0       2.1
      73.0       8.7
      74.0     100.0
      75.0       7.3
      79.0       2.3
      80.0       3.7
      81.0       7.6
      82.0       9.9
      83.0      43.2
      84.0      31.8
      85.0       3.1
      87.0      27.1
      88.0       4.9
      92.0       1.0
      93.0       2.2
      95.0       3.3
      96.0       9.5
      97.0      19.2
      98.0      19.4
      99.0       2.6
     100.0       1.5
     101.0       6.6
     107.0       2.8
     109.0       1.5
     110.0       6.1
     111.0      36.3
     112.0       2.9
     113.0       2.2
     114.0       3.5
     115.0       2.0
     123.0       2.0
     124.0      22.4
     125.0      11.3
     126.0       2.5
     127.0       1.6
     128.0       3.5
     129.0       2.6
     134.0       1.8
     135.0       1.4
     137.0       2.7
     140.0       1.1
     141.0       1.5
     143.0      10.0
     151.0       1.1
     152.0      75.1
     153.0       8.4
     156.0       3.1
     171.0      22.7
     172.0       2.4
     184.0       1.7
     185.0       3.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₈ O₄	0.04 ml : 0.5 ml CDCl₃
methyl hydrogen azelate

    Assign.     Shift(ppm)

      A            11.
      B             3.671
      C     *1      2.348
      D     *1      2.308
      E          1.65 to 1.610
      F          1.42 to 1.260

     Hz     ppm     Int.

   1467.35   3.672   1000
    945.87   2.367    100
    938.55   2.349    173
    930.85   2.330    129
    929.94   2.327    139
    922.43   2.309    180
    914.92   2.290    119
    659.22   1.650     55
    658.48   1.648     55
    652.44   1.633     85
    648.04   1.622     79
    645.66   1.616     75
    641.63   1.606     50
    544.37   1.363     41
    533.75   1.336    161
    532.83   1.334    161
    529.90   1.326    223
    526.05   1.317     75
    520.38   1.303     40
    517.45   1.295     29

in CDCl3