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Back ChemicalBook Home>CAS DataBase List>42789-13-9More Spectrum> 1,2-NONANEDIOL(42789-13-9) IR2

42789-13-9

1,2-NONANEDIOL(42789-13-9) IR2

Product Name1,2-NONANEDIOL

CAS42789-13-9

Molecular FormulaC9H20O2

Molecular Weight160.25

InChIInChI=1S/C9H20O2/c1-2-3-4-5-6-7-9(11)8-10/h9-11H,2-8H2,1H3

InChIKey LJZULWUXNKDPCG-UHFFFAOYSA-N

SmilesC(O)C(O)CCCCCCC

  • 1,2-NONANEDIOL(42789-13-9) IR2
    Mass

    MS-KW-0582          
    1,2-nonanediol 
    C9H20O2             (Mass of molecular ion:    160)
    

       Source Temperature: 220 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          17.0       1.4
          18.0       7.3
          27.0       5.9
          28.0       1.9
          29.0      10.4
          31.0       4.2
          32.0       1.1
          39.0       4.4
          41.0      24.3
          42.0       4.9
          43.0      29.7
          44.0       7.5
          45.0       2.7
          53.0       1.5
          54.0       3.4
          55.0      42.4
          56.0       9.5
          57.0      20.8
          58.0       4.9
          59.0       1.4
          60.0       1.2
          61.0       9.3
          67.0       5.5
          68.0       4.9
          69.0     100.0
          70.0       9.5
          71.0       3.2
          72.0       1.0
          81.0       4.3
          82.0       4.9
          83.0       7.7
          84.0       1.9
          85.0       1.5
          95.0       3.1
          96.0       2.2
          98.0       3.4
         110.0       1.3
         111.0      26.1
         112.0       2.4
         124.0       1.2
         128.0       1.5
         129.0      25.9
         130.0       2.3
    

400 MHz in CDCl3

  • 1,2-NONANEDIOL(42789-13-9) IR2

    1H NMR 399.65 MHz
    C9H20O2 0.038 g : 0.5 ml CDCl3
    1,2-nonanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.731 B 3.65 C *1 3.64 D *1 3.403 E 1.402 F 1.29 G 0.881

         Hz     ppm     Int.
    

       1491.34   3.731    119
       1460.33   3.653    242
       1438.12   3.598     90
       1367.07   3.420     66
       1359.38   3.401     90
       1352.06   3.382     44
        563.85   1.411    261
        559.82   1.401    205
        552.74   1.383    114
        541.14   1.354     53
        515.26   1.289    643
        510.75   1.278    713
        358.77   0.898    311
        352.06   0.881   1000
        344.98   0.863    347
    

in CDCl3

  • 1,2-NONANEDIOL(42789-13-9) IR2

KBr disk

  • 1,2-NONANEDIOL(42789-13-9) IR2

Nujol

  • 1,2-NONANEDIOL(42789-13-9) IR2

1,2-NONANEDIOL(42789-13-9) IR2 Atlas of Related Products

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