1117-86-8

1,2-Octanediol(1117-86-8) ¹³C NMR

Product Name1,2-Octanediol

CAS 1117-86-8

Molecular FormulaC8H18O2

Molecular Weight146.23

InChIInChI=1S/C8H18O2/c1-2-3-4-5-6-8(10)7-9/h8-10H,2-7H2,1H3

InChIKey AEIJTFQOBWATKX-UHFFFAOYSA-N

SmilesC(O)C(O)CCCCCC

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1,2-Octanediol(1117-86-8) <sup>13</sup>C NMR
Mass

MS-IW-6303          
1,2-octanediol
C8H18O2             (Mass of molecular ion:    146)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.6
      18.0       4.2
      27.0       7.7
      28.0       2.7
      29.0      13.0
      31.0       7.0
      39.0       5.3
      41.0      23.3
      42.0       5.7
      43.0      40.9
      44.0       7.3
      45.0       3.7
      53.0       1.7
      54.0       1.9
      55.0     100.0
      56.0      10.2
      57.0      12.0
      58.0       3.0
      59.0       2.6
      60.0       2.5
      61.0      14.8
      67.0       4.2
      68.0       3.8
      69.0      25.3
      70.0       4.1
      71.0       3.7
      72.0       1.2
      73.0       1.3
      81.0       4.5
      82.0       2.2
      83.0       1.1
      84.0       2.7
      85.0       2.4
      87.0       1.2
      89.0       2.3
      95.0       1.6
      96.0       1.9
      97.0      89.5
      98.0       7.0
     110.0       1.2
     111.0       1.3
     113.0       1.9
     114.0       2.8
     115.0      37.6
     116.0       3.1
     117.0       8.6
     129.0       1.0
     145.0       1.0

400 MHz in CDCl3

1,2-Octanediol(1117-86-8) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₈ H₁₈ O₂	0.042 g : 0.5 ml CDCl₃
1,2-octanediol

    Assign.     Shift(ppm)

      A             3.67
      B     *1      3.643
      C     *1      3.406
      D             1.412
      E             1.28
      F             0.883

     Hz     ppm     Int.

   1466.55   3.670    142
   1451.17   3.632    172
   1448.49   3.625    140
   1439.82   3.603    181
   1437.13   3.596    153
   1369.87   3.428    176
   1361.94   3.408    161
   1358.52   3.400    146
   1350.71   3.380    120
    564.45   1.413    278
    512.57   1.283    620
    359.62   0.900    292
    352.91   0.884   1000
    345.83   0.866    330

in CDCl3