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3710-31-4

1,2-庚二醇(3710-31-4)核磁图(13CNMR)

产品名称:1,2-庚二醇

CAS:3710-31-4

分子式:C7H16O2

分子量: 132.2

InChI:InChI=1S/C7H16O2/c1-2-3-4-5-7(9)6-8/h7-9H,2-6H2,1H3

InChIKey: GCXZDAKFJKCPGK-UHFFFAOYSA-N

Smiles:C(O)C(O)CCCCC

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    Mass

    MS-KW-0709          
    1,2-heptanediol 
    C7H16O2             (Mass of molecular ion:    132)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.6
          18.0       1.8
          27.0       7.0
          28.0       2.4
          29.0      17.2
          31.0       8.8
          39.0       4.7
          41.0      30.9
          42.0       5.0
          43.0      25.0
          44.0       7.8
          45.0       5.4
          53.0       1.3
          54.0       1.3
          55.0     100.0
          56.0       7.5
          57.0      15.1
          58.0       2.3
          59.0       2.7
          60.0       1.9
          61.0      18.1
          67.0       1.9
          68.0       1.2
          69.0       2.0
          70.0       3.7
          71.0       3.1
          73.0       1.1
          81.0       2.6
          82.0       1.7
          83.0      96.3
          84.0       6.5
          97.0       1.1
         100.0       3.4
         101.0      35.9
         102.0       2.4
    

in DMSO-d6

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in DMSO-d6

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