丙二醇甲醚醋酸酯(108-65-6)核磁圖(¹HNMR)

產(chǎn)品名稱(chēng):丙二醇甲醚醋酸酯

CAS:108-65-6

分子式:C6H12O3

分子量: 132.16

InChI:InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3

InChIKey: LLHKCFNBLRBOGN-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-5091          
2-methoxy-1-methylethyl acetate
C6H12O3             (Mass of molecular ion:    132)

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

      15.0       3.9
      18.0       1.2
      27.0       2.5
      28.0       1.5
      29.0       5.2
      31.0       1.9
      39.0       2.8
      41.0       9.2
      42.0       5.5
      43.0     100.0
      44.0       5.0
      45.0      59.3
      46.0       1.4
      57.0       3.7
      58.0      25.4
      59.0       2.7
      61.0       1.4
      71.0       5.4
      72.0      36.8
      73.0       4.5
      87.0      21.6
      88.0       9.9
      89.0       6.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₂ O₃	0.05 ml : 0.5 ml CDCl₃
2-methoxy-1-methylethyl acetate

    Assign.     Shift(ppm)

      A             5.072
      B     *1      3.442
      C     *1      3.401
      D             3.373
      E             2.063
      F             1.233

     Hz     ppm     Int.

   2037.60   5.099     21
   2035.28   5.093     55
   2031.13   5.083     62
   2029.05   5.078     72
   2024.78   5.067     74
   2022.71   5.062     58
   2018.55   5.051     56
   1386.47   3.470     77
   1380.49   3.455     71
   1375.98   3.443    203
   1370.00   3.429    206
   1365.36   3.417    185
   1361.21   3.407    189
   1354.86   3.391     83
   1350.71   3.380    134
   1348.27   3.374    972
    824.22   2.063   1000
    820.43   2.053     42
    496.09   1.242    601
    489.50   1.225    585

in CDCl3