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Back ChemicalBook Home>CAS DataBase List>1501-27-5More Spectrum> MONO-METHYL GLUTARATE(1501-27-5) 13C NMR

MONO-METHYL GLUTARATE(1501-27-5) 13C NMR

Molecular FormulaC6H10O4

Molecular Weight146.14

InChIInChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8)

InChIKey IBMRTYCHDPMBFN-UHFFFAOYSA-N

SmilesC(OC)(=O)CCCC(O)=O


  • Mass

    MS-NW-6448          
    methyl hydrogen glutarate
    C6H10O4             (Mass of molecular ion:    146)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       2.8
          15.0      38.0
          18.0       3.7
          26.0       3.8
          27.0      30.3
          28.0      10.5
          29.0       9.7
          30.0       1.6
          31.0      14.2
          32.0       1.9
          33.0       3.2
          35.0       2.2
          37.0       1.6
          38.0       3.6
          39.0      22.4
          40.0       5.5
          41.0      51.5
          42.0      59.6
          43.0     100.0
          44.0       6.7
          45.0      54.3
          46.0       1.4
          49.0       2.3
          55.0      67.0
          56.0       3.4
          57.0       2.2
          58.0      19.3
          59.0      55.6
          60.0       9.8
          61.0       1.0
          68.0       4.9
          69.0       7.0
          70.0       7.9
          71.0       1.6
          72.0       5.3
          73.0       4.9
          74.0      30.3
          75.0       1.4
          85.0       7.0
          86.0      52.8
          87.0      82.6
          88.0       4.7
          97.0       7.9
          98.0       1.3
          99.0       1.6
         100.0      81.1
         101.0      10.7
         102.0       1.1
         114.0      41.0
         115.0      67.7
         116.0       4.5
         128.0       9.8
         129.0       6.9
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H10 O4 0.05 ml : 0.5 ml CDCl3
    methyl hydrogen glutarate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.68 B 3.687 C 2.43 D 1.98

         Hz     ppm     Int.
    

       1046.50  11.685    246
        330.18   3.687   1000
        227.04   2.536     59
        225.93   2.523     75
        224.13   2.503     85
        218.66   2.442    225
        217.04   2.424    193
        214.56   2.396     77
        212.60   2.374    163
        210.55   2.351    141
        189.44   2.116     35
        187.48   2.094     39
        182.52   2.038     82
        181.58   2.028     91
        177.73   1.985     32
        175.26   1.957     94
        174.57   1.950     93
        170.90   1.909     24
        168.16   1.878     52
        167.22   1.868     46
    

in CDCl3



liquid film



4880 A,200 M,liquid



MONO-METHYL GLUTARATE(1501-27-5) 13C NMR Atlas of Related Products

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