1115-81-7

(R)-(-)-2-甲基戊二酸(1115-81-7)核磁圖(¹³CNMR)

產(chǎn)品名稱(chēng):(R)-(-)-2-甲基戊二酸

CAS:1115-81-7

分子式:C6H10O4

分子量: 146.14

InChI:InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m1/s1

InChIKey: AQYCMVICBNBXNA-SCSAIBSYSA-N

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

Mass

MS-IW-9073          
(R)-(-)-2-methylglutaric acid
C6H10O4             (Mass of molecular ion:    146)

   Source Temperature: 140 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      15.0       1.5
      17.0       3.5
      18.0      18.3
      26.0       4.6
      27.0      22.8
      28.0      27.1
      29.0      21.4
      30.0       1.7
      31.0       4.8
      38.0       1.6
      39.0      14.9
      40.0       3.2
      41.0      38.3
      42.0      47.5
      43.0      27.6
      44.0       2.0
      45.0      21.0
      50.0       1.4
      51.0       1.5
      53.0       4.3
      54.0       6.5
      55.0      67.4
      56.0     100.0
      57.0       8.6
      58.0       7.0
      59.0      14.3
      60.0      33.2
      61.0       1.6
      69.0      23.9
      70.0       1.2
      71.0       1.5
      72.0       3.9
      73.0      14.1
      74.0      22.2
      82.0       4.6
      83.0      14.1
      84.0      11.0
      85.0       8.5
      86.0       1.2
      87.0      10.4
      99.0       2.0
     100.0      84.0
     101.0      10.2
     102.0       2.3
     128.0      20.1
     129.0       5.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₁₀ O₄	0.039 g : 0.5 ml DMSO-d₆
(R)-(-)-2-methylglutaric acid

    Assign.     Shift(ppm)

      A            12.1
      B             2.348
      C             2.24
      D     *1      1.762
      E     *1      1.581
      F             1.060

     Hz     ppm     Int.

   4839.07  12.109     81
    949.54   2.376     74
    942.57   2.359    128
    935.61   2.342    135
    928.47   2.324     84
    897.70   2.247    165
    896.23   2.243    160
    890.56   2.229    221
    888.91   2.225    344
    882.13   2.208    203
    881.03   2.205    194
    723.87   1.812     40
    716.18   1.793     93
    710.14   1.777     76
    708.85   1.774     91
    702.26   1.758    121
    695.30   1.740     99
    694.57   1.738     87
    687.42   1.721     44
    649.51   1.626     51
    642.55   1.608     87
    641.08   1.605     59
    635.95   1.592    111
    634.67   1.589     81
    628.44   1.573     81
    627.53   1.571     92
    622.22   1.557     58
    621.30   1.555     51
    620.38   1.553     44
    613.97   1.537     31
    427.69   1.071   1000
    420.55   1.053    992

in DMSO-d6