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Back ChemicalBook Home>CAS DataBase List>111-29-5More Spectrum> 1,5-Pentanediol(111-29-5) 1H NMR

111-29-5

1,5-Pentanediol(111-29-5) 1H NMR

Product Name1,5-Pentanediol

CAS111-29-5

Molecular FormulaC5H12O2

Molecular Weight104.15

InChIInChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2

InChIKey ALQSHHUCVQOPAS-UHFFFAOYSA-N

SmilesC(O)CCCCO

  • 1,5-Pentanediol(111-29-5) <sup>1</sup>H NMR
    Mass

    MS-NW-1716          
    1,5-pentanediol
    C5H12O2             (Mass of molecular ion:    104)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       4.1
          17.0       1.3
          18.0       6.3
          19.0       6.1
          26.0       2.9
          27.0      27.9
          28.0      20.1
          29.0      33.6
          30.0       3.0
          31.0     100.0
          32.0       2.1
          33.0       2.7
          38.0       1.3
          39.0      17.0
          40.0       6.2
          41.0      70.6
          42.0      13.3
          43.0      28.9
          44.0      44.9
          45.0      14.7
          46.0       1.0
          53.0       6.7
          54.0       2.5
          55.0      51.2
          56.0      87.7
          57.0      56.9
          58.0       9.2
          61.0       3.3
          67.0      21.3
          68.0      32.2
          69.0       3.1
          71.0       3.1
          73.0       8.5
          74.0      15.3
          85.0       2.4
          86.0       2.1
    

90 MHz in CDCl3

  • 1,5-Pentanediol(111-29-5) <sup>1</sup>H NMR

    1H NMR 89.56 MHz
    C5 H12 O2 0.04 ml : 0.5 ml CDCl3
    1,5-pentanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.645 B 2.13 C 1.57 D 1.48

         Hz     ppm     Int.
    

        333.00   3.719     76
        331.44   3.701     64
        330.50   3.691     58
        329.75   3.682     66
        326.81   3.650    370
        324.00   3.618     33
        320.81   3.583    144
        190.44   2.127   1000
        149.44   1.669     55
        147.00   1.642     35
        146.69   1.638     33
        146.13   1.632     37
        144.44   1.613     67
        143.06   1.598    128
        138.81   1.550    153
        138.00   1.541    159
        135.75   1.516    185
        134.44   1.502    144
        132.50   1.480     73
        131.13   1.465     37
        130.50   1.458     43
    

in CDCl3

  • 1,5-Pentanediol(111-29-5) <sup>1</sup>H NMR

liquid film

  • 1,5-Pentanediol(111-29-5) <sup>1</sup>H NMR

4880 A,200 M,liquid

  • 1,5-Pentanediol(111-29-5) <sup>1</sup>H NMR

1,5-Pentanediol(111-29-5) 1H NMR Atlas of Related Products

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