Welcome to chemicalbook!
+1 (818) 612-2111
Inquriy
Try our best to find the right business for you.
Do not miss inquiry messages Please log in to view all inquiry messages.

Welcome back!

Back ChemicalBook Home>CAS DataBase List>629-41-4More Spectrum> 1,8-Octanediol(629-41-4) 1H NMR

1,8-Octanediol(629-41-4) 1H NMR

Product Name1,8-Octanediol

CAS629-41-4

Molecular FormulaC8H18O2

Molecular Weight146.23

InChIInChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2

InChIKey OEIJHBUUFURJLI-UHFFFAOYSA-N

SmilesC(O)CCCCCCCO


  • Mass

    MS-NW-4656          
    1,8-octanediol
    C8H18O2             (Mass of molecular ion:    146)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.5
          18.0       3.8
          19.0       1.5
          26.0       1.1
          27.0      18.7
          28.0       6.0
          29.0      23.1
          31.0      52.4
          39.0      15.3
          40.0       3.7
          41.0      76.4
          42.0      32.4
          43.0      35.9
          44.0      14.3
          45.0       8.8
          49.0       1.0
          51.0       1.2
          53.0       7.8
          54.0      52.7
          55.0     100.0
          56.0      36.1
          57.0      30.9
          58.0       4.6
          59.0       1.7
          65.0       1.1
          66.0       4.7
          67.0      87.8
          68.0      77.4
          69.0      41.9
          70.0      25.1
          71.0      13.2
          72.0       4.4
          73.0       3.1
          77.0       1.0
          79.0       3.0
          80.0       1.7
          81.0      35.0
          82.0      68.8
          83.0      10.7
          84.0       2.6
          85.0      12.4
          86.0       1.3
          93.0       1.1
          95.0      12.0
          96.0       1.4
          97.0       1.4
          98.0       9.3
          99.0       2.0
         109.0       1.6
         110.0       1.8
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H18 O2 0.049 g : 0.5 ml CDCl3
    1,8-octanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.632 B 1.68 C 1.563 D 1.36 E 1.34

         Hz     ppm     Int.
    

       1458.13   3.649    513
       1451.54   3.633    990
       1444.95   3.616    507
        671.63   1.681    205
        639.16   1.600     69
        638.43   1.598     69
        632.32   1.583    206
        631.84   1.581    205
        625.12   1.565    321
        618.29   1.548    265
        614.01   1.537     71
        611.57   1.531     99
        561.04   1.404     38
        558.96   1.399     51
        558.72   1.399     51
        558.47   1.398     51
        550.17   1.377    174
        548.46   1.373    175
        545.04   1.364    233
        534.42   1.338    935
        533.57   1.336   1000
        526.49   1.318    102
        519.04   1.299     38
        518.31   1.297     35
        517.33   1.295     32
        516.85   1.294     30
        516.60   1.293     30
    


  • 1H NMR 89.56 MHz
    C8 H18 O2 0.05 g : 0.5 ml CDCl3
    1,8-octanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.613 B 2.79 C 1.56 D 1.34

         Hz     ppm     Int.
    

        327.94   3.662    209
        325.56   3.636    170
        321.81   3.594    518
        315.56   3.524    291
        308.13   3.441     33
        307.25   3.431     30
        250.19   2.794    403
        152.06   1.698     36
        144.50   1.614    134
        143.56   1.603    132
        143.19   1.599    133
        138.19   1.543    240
        138.06   1.542    240
        131.69   1.471    239
        118.94   1.329   1000
        105.81   1.182     56
        105.13   1.174     53
        104.50   1.167     49
        103.19   1.153     41
    

in CDCl3



KBr disc



nujol mull





1,8-Octanediol(629-41-4) 1H NMR Atlas of Related Products

×