3-ETHYL-3-METHYLGLUTARIC ACID(5345-01-7) ¹H NMR

Product Name3-ETHYL-3-METHYLGLUTARIC ACID

CAS 5345-01-7

Molecular FormulaC8H14O4

Molecular Weight174.19

InChIInChI=1S/C8H14O4/c1-3-8(2,4-6(9)10)5-7(11)12/h3-5H2,1-2H3,(H,9,10)(H,11,12)

InChIKey XAWFHZMTJUGGEE-UHFFFAOYSA-N

SmilesC(O)(=O)CC(CC)(C)CC(O)=O

Request For Quotation

3-ETHYL-3-METHYLGLUTARIC ACID(5345-01-7) <sup>1</sup>H NMR
Mass

MS-NW-1813          
3-ethyl-3-methylglutaric acid
C8H14O4             (Mass of molecular ion:    174)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       3.0
      17.0       1.5
      18.0       6.9
      26.0       2.1
      27.0      36.8
      28.0       5.9
      29.0      34.5
      31.0       6.8
      38.0       2.0
      39.0      32.6
      40.0       5.3
      41.0      73.7
      42.0      12.2
      43.0      41.9
      44.0       1.5
      45.0      15.3
      50.0       1.6
      51.0       3.3
      52.0       1.5
      53.0      15.6
      54.0       4.4
      55.0      52.8
      56.0       4.6
      57.0       7.1
      58.0       3.1
      59.0       8.4
      60.0      30.1
      61.0       2.7
      65.0       1.4
      67.0       8.2
      68.0      12.5
      69.0      91.2
      70.0      19.7
      71.0      35.5
      72.0       6.7
      73.0     100.0
      74.0       4.6
      81.0      10.0
      82.0       3.3
      83.0       2.6
      84.0       4.8
      85.0       5.1
      86.0       1.7
      87.0       1.0
      94.0       2.6
      95.0       2.3
      96.0       7.6
      97.0      53.4
      98.0       6.9
      99.0      29.2
     100.0       3.0
     103.0       1.0
     109.0       3.4
     110.0       2.1
     111.0       1.3
     113.0       6.1
     114.0      21.1
     115.0      77.8
     116.0       5.3
     126.0       2.3
     127.0      58.2
     128.0      21.2
     129.0       2.0
     138.0       2.4
     141.0       2.7
     145.0       1.2
     156.0       6.9
     157.0       2.7

90 MHz in CDCl3

3-ETHYL-3-METHYLGLUTARIC ACID(5345-01-7) <sup>1</sup>H NMR

¹H NMR	89.56 MHz
C₈ H₁₄ O₄	0.053 g : 0.5 ml CDCl₃
3-ethyl-3-methylglutaric acid

    Assign.     Shift(ppm)

      A            11.61
      B             2.516
      C             1.49
      D             1.118
      E             0.904

     Hz     ppm     Int.

   1039.32  11.605    174
    225.33   2.516   1000
    140.91   1.574    116
    133.39   1.490    160
    132.19   1.476     95
    100.15   1.119    910
     86.99   0.972    214
     80.24   0.896    419
     72.38   0.809    108

in CDCl3