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124-04-9

己二酸(124-04-9)红外图谱(IR2)

产品名称:己二酸

CAS:124-04-9

分子式:C6H10O4

分子量: 146.14

InChI:InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)

InChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCCC(O)=O

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    Mass

    MS-NW-0242          
    adipic acid
    C6H10O4             (Mass of molecular ion:    146)
    

       Source Temperature:   0 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          15.0       2.3
          18.0       5.1
          26.0       5.2
          27.0      25.8
          28.0      14.0
          29.0      20.7
          30.0       1.3
          31.0       6.6
          38.0       1.9
          39.0      17.4
          40.0       2.2
          41.0      48.2
          42.0      27.0
          43.0      52.1
          44.0       2.0
          45.0      27.3
          46.0       1.0
          50.0       1.6
          51.0       1.5
          53.0       5.4
          54.0      14.7
          55.0      32.6
          56.0       8.6
          57.0       7.6
          58.0      11.9
          59.0       6.2
          60.0      49.6
          61.0       1.6
          68.0       8.2
          69.0      43.1
          70.0       1.9
          72.0       1.1
          73.0      29.5
          74.0       3.6
          81.0       1.0
          82.0       7.0
          83.0       6.6
          84.0       1.0
          85.0       1.8
          86.0       2.8
          87.0      40.5
          88.0       2.0
          99.0       2.3
         100.0     100.0
         101.0       8.0
         102.0       2.1
         110.0       3.2
         111.0       1.7
         112.0       1.4
         128.0      17.9
         129.0       3.8
    

90 MHz in DMSO-d6

400 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C6 H10 O4 0.043 g : 0.5 ml DMSO-d6
    adipic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.0 B 2.21 C 1.51

         Hz     ppm     Int.
    

       1071.36  11.963    134
        204.74   2.287    299
        198.33   2.215    950
        192.26   2.147    411
        141.76   1.583    375
        138.17   1.543    472
        135.01   1.508   1000
        131.68   1.471    439
        128.09   1.431    251
    

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    1H NMR 399.65 MHz
    C6 H10 O4 0.039 g : 0.5 ml DMSO-d6
    adipic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.0 B 2.210 C 1.501

         Hz     ppm     Int.
    

       4803.36  12.019    895
        890.56   2.229    336
        889.46   2.226    326
        887.99   2.222    312
        886.16   2.218    416
        883.41   2.211    822
        881.03   2.205    420
        879.02   2.200    294
        877.55   2.196    314
        876.45   2.194    342
        607.20   1.520    358
        603.17   1.510    462
        600.24   1.502   1000
        596.94   1.494    421
        594.19   1.487    242
        593.09   1.485    295
    

DMSO-d6

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KBr disc

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nujol mull

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4880 A,200 M,powder

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TI(III) COMPLEX IN TOLUENE/BENZENE, X-BAND

TI(III) COMPLEX IN TOLUENE/BENZENE, HALF FIELD

TI(III) COMPLEX IN C6H6/C6H5(CH3), Q-BAND, 77K

TI(III) COMPLEX IN TOLUENE/BENZENE, S-BAND

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