80986-17-0

(R)-(-)-4-甲基戊二酸單甲酯(80986-17-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:(R)-(-)-4-甲基戊二酸單甲酯

CAS:80986-17-0

分子式:C7H12O4

分子量: 160.17

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9055          
5-methyl hydrogen (R)-2-methylglutarate
C7H12O4             (Mass of molecular ion:    160)

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

      15.0      17.2
      18.0       1.8
      26.0       2.9
      27.0      22.2
      28.0      17.5
      29.0      24.3
      30.0       1.5
      31.0       9.6
      32.0       3.2
      33.0       1.6
      38.0       1.0
      39.0      13.6
      40.0       2.3
      41.0      26.6
      42.0      21.6
      43.0      46.7
      44.0       3.2
      45.0      20.3
      51.0       1.3
      53.0       4.9
      54.0       8.2
      55.0     100.0
      56.0      46.6
      57.0      11.0
      58.0       2.3
      59.0      48.5
      60.0       2.7
      68.0       1.2
      69.0      14.5
      71.0       2.2
      72.0       7.5
      73.0      20.3
      74.0      42.1
      75.0       1.7
      81.0       1.4
      82.0       9.6
      83.0      36.6
      84.0       3.9
      85.0       7.0
      86.0       1.2
      87.0      43.5
      88.0       5.2
      99.0      17.5
     100.0      36.7
     101.0      42.2
     102.0       2.5
     110.0       1.1
     113.0       1.5
     114.0      65.0
     115.0       8.4
     116.0       1.1
     128.0      19.9
     129.0      38.3
     130.0       2.7
     142.0       5.7
     143.0       4.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₂ O₄	0.05 ml : 0.5 ml CDCl₃
5-methyl hydrogen (R)-2-methylglutarate

    Assign.     Shift(ppm)

      A            11.3
      B             3.683
      C             2.533
      D             2.41
      E     *1      1.999
      F     *1      1.814
      G             1.222

     Hz     ppm     Int.

   1472.29   3.684   1000
   1023.72   2.562     41
   1016.76   2.545     63
   1009.80   2.527     65
   1002.65   2.509     45
    972.25   2.433     86
    968.95   2.425     85
    965.47   2.416    103
    963.64   2.412    116
    961.62   2.407    127
    960.89   2.405    121
    956.68   2.394     98
    953.56   2.386     96
    810.69   2.029     33
    809.78   2.027     50
    803.73   2.012     47
    802.82   2.009     53
    801.72   2.007     38
    796.96   1.995     46
    795.68   1.991     74
    788.90   1.974     60
    787.62   1.971     44
    741.27   1.855     32
    735.23   1.840     42
    734.31   1.838     47
    732.67   1.834     38
    728.27   1.823     49
    726.80   1.819     52
    725.71   1.816     43
    721.31   1.805     36
    719.84   1.802     52
    714.35   1.788     31
    712.88   1.784     30
    491.80   1.231    533
    484.84   1.214    513

in CDCl3