6222-17-9

1,6-二乙酰氧基己烷(6222-17-9)紅外圖譜(IR1)

產(chǎn)品名稱:1,6-二乙酰氧基己烷

CAS:6222-17-9

分子式:C10H18O4

分子量: 202.25

InChI:InChI=1S/C10H18O4/c1-9(11)13-7-5-3-4-6-8-14-10(2)12/h3-8H2,1-2H3

InChIKey: ZMFWEWMHABZQNB-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-6137          
hexamethylene diacetate
C10H18O4            (Mass of molecular ion:    202)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       3.1
      27.0       1.9
      28.0       2.6
      29.0       2.6
      31.0       1.1
      39.0       2.4
      41.0      11.2
      42.0       9.1
      43.0     100.0
      44.0       4.5
      45.0       1.0
      53.0       1.2
      54.0      57.9
      55.0      23.0
      56.0       2.4
      57.0       3.4
      58.0       3.2
      61.0      36.8
      67.0      50.5
      68.0       4.9
      69.0       3.9
      70.0       3.7
      71.0       8.9
      72.0       1.9
      73.0       9.8
      79.0       1.1
      80.0       1.6
      81.0      12.4
      82.0      87.0
      83.0      11.6
      84.0       8.5
      85.0       2.2
      86.0       2.3
      87.0       1.4
      94.0       1.2
      97.0       1.8
      98.0       1.2
      99.0      12.9
     100.0       4.3
     101.0       3.0
     103.0       2.0
     112.0       7.7
     114.0       1.9
     115.0       4.3
     203.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₈ O₄	0.05 ml : 0.5 ml CDCl₃
hexamethylene diacetate

    Assign.     Shift(ppm)

      A             4.062
      B             2.049
      C             1.640
      D             1.394

     Hz     ppm     Int.

   1630.37   4.080    224
   1623.66   4.063    412
   1616.94   4.046    223
    818.85   2.049   1000
    670.65   1.679     23
    663.70   1.661     80
    661.13   1.655     65
    656.98   1.644    119
    652.34   1.633     67
    649.90   1.627     88
    644.04   1.612     30
    643.07   1.610     31
    563.84   1.411     94
    560.18   1.402    107
    558.96   1.399     99
    556.40   1.393    189
    552.98   1.384    101
    548.95   1.374     75

in CDCl3