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1460-18-0

十五碳二元酸(1460-18-0)質(zhì)譜(MS)

產(chǎn)品名稱:十五碳二元酸

CAS:1460-18-0

分子式:C15H28O4

分子量: 272.38

InChI:InChI=1S/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16,17)(H,18,19)

InChIKey: BTZVDPWKGXMQFW-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCCCCCCCCCCCC(O)=O

  • 圖譜
    Mass

    MS-IW-7261          
    pentadecanedioic acid
    C15H28O4            (Mass of molecular ion:    272)
    

       Source Temperature: 170 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          17.0       1.8
          18.0      10.0
          27.0       3.0
          28.0       1.5
          29.0       6.5
          39.0       2.6
          41.0      19.1
          42.0       4.6
          43.0      16.3
          45.0       3.5
          53.0       1.5
          54.0       2.7
          55.0      32.2
          56.0       6.4
          57.0      10.6
          58.0       4.9
          59.0       3.5
          60.0      14.2
          61.0       2.0
          67.0       6.2
          68.0       5.8
          69.0      20.7
          70.0       5.6
          71.0       9.8
          73.0      16.1
          74.0       1.6
          79.0       2.2
          80.0       3.8
          81.0       7.7
          82.0       6.2
          83.0      17.7
          84.0      62.7
          85.0       7.5
          87.0       3.7
          93.0       2.5
          94.0       4.7
          95.0       7.4
          96.0       7.2
          97.0      15.8
          98.0     100.0
          99.0       9.5
         100.0       1.5
         101.0       2.9
         107.0       2.4
         108.0       3.7
         109.0       3.8
         110.0       4.3
         111.0       9.1
         112.0      35.1
         113.0       4.2
         114.0       1.5
         115.0       2.7
         121.0       4.1
         122.0       3.0
         123.0       2.9
         124.0       2.6
         125.0       5.0
         126.0       7.7
         127.0       1.7
         129.0       5.7
         130.0       6.8
         134.0       1.1
         135.0       4.2
         136.0       1.5
         137.0       2.0
         138.0       2.0
         139.0       3.0
         140.0       2.3
         143.0       2.4
         149.0       1.6
         150.0       1.6
         151.0       1.3
         152.0       3.5
         153.0       2.9
         154.0       1.9
         157.0       1.1
         165.0       1.0
         166.0       1.1
         167.0       1.4
         168.0       1.1
         171.0       1.4
         177.0       2.8
         185.0       3.0
         194.0       1.4
         195.0       5.4
         208.0       3.1
         210.0       1.1
         213.0       1.0
         228.0       6.8
         229.0       1.0
         236.0       7.0
         237.0       1.1
         254.0       2.4
         255.0       2.1
    

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C15 H28 O4 0.040 g : 0.5 ml DMSO-d6
    pentadecanedioic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.0 B 2.179 C 1.48 D 1.24

         Hz     ppm     Int.
    

       4779.91  11.961     42
        878.65   2.199    146
        871.32   2.181    292
        863.81   2.162    166
        598.77   1.499     55
        591.81   1.481     84
        584.85   1.464     61
        495.47   1.240   1000
    

in DMSO-d6

  • 圖譜

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