10171-92-3

(S)-(+)-2-甲基戊二酸二甲酯(10171-92-3)核磁图(¹HNMR)

产品名称:(S)-(+)-2-甲基戊二酸二甲酯

CAS:10171-92-3

分子式:C8H14O4

分子量: 174.19

InChI:InChI=1S/C8H14O4/c1-6(8(10)12-3)4-5-7(9)11-2/h6H,4-5H2,1-3H3/t6-/m0/s1

InChIKey: ZWKKRUNHAVNSFW-LURJTMIESA-N

Smiles:C(OC)(=O)[C@@H](C)CCC(OC)=O

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9076          
dimethyl (S)-2-methylglutarate
C8H14O4             (Mass of molecular ion:    174)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0      26.9
      26.0       1.9
      27.0      15.7
      28.0      15.7
      29.0      15.8
      30.0       1.0
      31.0       3.8
      39.0      10.5
      40.0       1.9
      41.0      20.6
      42.0      13.4
      43.0      19.9
      44.0       1.2
      45.0       6.8
      53.0       4.5
      54.0       7.3
      55.0      84.7
      56.0      24.4
      57.0      10.0
      58.0       5.0
      59.0      61.8
      60.0       2.1
      68.0       1.0
      69.0      10.6
      71.0       2.7
      72.0       6.5
      73.0      57.9
      74.0      11.4
      75.0       1.0
      81.0       1.7
      82.0       9.7
      83.0      39.2
      84.0       3.1
      85.0       1.3
      86.0       1.2
      87.0      14.5
      88.0      37.3
      89.0       1.7
      99.0      27.3
     100.0       2.2
     101.0      16.2
     102.0       1.1
     110.0       2.8
     113.0       1.9
     114.0     100.0
     115.0      55.7
     116.0       3.9
     132.0       1.2
     142.0      30.7
     143.0      64.7
     144.0       5.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₄ O₄	0.05 ml : 0.5 ml CDCl₃
dimethyl (S)-2-methylglutarate

    Assign.     Shift(ppm)

      A     *1      3.682
      B     *1      3.674
      C             2.509
      D             2.35
      E     *2      1.971
      F     *2      1.787
      G             1.181

     Hz     ppm     Int.

   1471.44   3.682   1000
   1468.51   3.675    867
    948.97   2.375     79
    945.92   2.367     79
    942.02   2.358     94
    940.43   2.354    103
    938.72   2.349    112
    937.87   2.347    105
    933.47   2.336     92
    930.66   2.329     91
    785.03   1.965     76
    475.71   1.191    549
    473.27   1.185     46
    468.63   1.173    535

in CDCl3