(R)-(+)-Methylsuccinic acid(3641-51-8) ¹³C NMR

Product Name(R)-(+)-Methylsuccinic acid

CAS 3641-51-8

Molecular FormulaC5H8O4

Molecular Weight132.11

InChIInChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m1/s1

InChIKey WXUAQHNMJWJLTG-GSVOUGTGSA-N

SmilesC(O)(=O)[C@H](C)CC(O)=O

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Mass

MS-IW-9074          
(R)-(+)-methylsuccinic acid
C5H8O4              (Mass of molecular ion:    132)

   Source Temperature: 130 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      14.0       1.1
      15.0       2.7
      17.0       5.8
      18.0      30.1
      26.0       5.0
      27.0      22.4
      28.0       8.1
      29.0       4.3
      31.0       2.4
      37.0       2.5
      38.0       4.1
      39.0      20.5
      40.0       7.9
      41.0      49.0
      42.0     100.0
      43.0      29.4
      44.0       2.8
      45.0      40.3
      46.0       2.1
      53.0       1.3
      55.0      23.3
      56.0       1.5
      57.0       1.4
      58.0       8.5
      59.0       1.3
      60.0      11.1
      63.0       4.6
      68.0       3.2
      69.0      14.5
      70.0      10.1
      71.0       1.7
      73.0      39.0
      74.0       1.7
      85.0       1.9
      86.0      51.4
      87.0       9.8
      88.0       4.0
     114.0      36.5
     115.0       7.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₅ H₈ O₄	0.038 g : 0.5 ml DMSO-d₆
(R)-(+)-methylsuccinic acid

    Assign.     Shift(ppm)

      A            12.2
      B             2.666
      C     *1      2.500
      D     *1      2.307
      E             1.101
     
     SIGNAL C OVERLAPPED BY SOLVENT PEAKS

     Hz     ppm     Int.

   4859.22  12.159    128
   1076.84   2.695     64
   1071.16   2.681     88
   1069.69   2.677     96
   1068.59   2.674    100
   1064.01   2.663     99
   1062.92   2.660    111
   1061.45   2.656    100
   1055.77   2.642     90
   1012.36   2.534    197
   1008.51   2.524     44
   1006.68   2.519     84
   1003.94   2.513    195
   1001.37   2.506     45
    995.69   2.492    261
    987.27   2.471    219
    931.58   2.331    242
    925.91   2.317    235
    914.92   2.290    174
    909.24   2.276    157
    443.81   1.111   1000
    436.67   1.093    986

in DMSO-d6