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1,8-Octanediol

Product Name 1,8-Octanediol

CAS629-41-4

MFC8H18O2

MW146.23

¹³CNMR

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

    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

    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

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