3-OCTANOL(20296-29-1) ¹H NMR

Product Name3-OCTANOL

CAS 20296-29-1

Molecular FormulaC8H18O

Molecular Weight130.23

InChIInChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3

InChIKey NMRPBPVERJPACX-UHFFFAOYSA-N

SmilesC(O)(CC)CCCCC

Request For Quotation

Mass

MS-NW-2104          
3-octanol
C8H18O              (Mass of molecular ion:    130)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       4.0
      27.0      10.9
      28.0       2.3
      29.0      17.6
      31.0      19.2
      39.0       6.2
      40.0       1.1
      41.0      31.3
      42.0       7.5
      43.0      15.0
      44.0       3.5
      45.0       4.2
      53.0       1.6
      54.0       1.0
      55.0      55.7
      56.0      11.3
      57.0       9.4
      58.0       8.9
      59.0     100.0
      60.0       3.5
      67.0       1.2
      69.0       6.6
      70.0       7.9
      71.0       3.7
      72.0       2.9
      82.0       1.0
      83.0      52.6
      84.0       4.8
      99.0       2.1
     100.0       1.2
     101.0      22.2
     102.0       1.6
     112.0       5.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₈ O	0.04 ml : 0.5 ml CDCl₃
3-octanol

    Assign.     Shift(ppm)

      A             3.52
      B          1.69 to 1.12
      C             0.94
      D             0.90

     Hz     ppm     Int.

    320.50   3.579     50
    320.06   3.574     48
    319.69   3.570     47
    319.38   3.567     47
    318.75   3.560     49
    317.75   3.548     50
    315.88   3.528     64
    315.56   3.524     66
    314.56   3.513     62
    313.94   3.506     62
    312.88   3.494     51
    312.44   3.489     51
    311.88   3.483     48
    310.88   3.472     48
    309.75   3.459     46
    309.44   3.456     45
    309.13   3.452     44
    148.06   1.654     65
    146.94   1.641     37
    145.06   1.620     73
    142.75   1.594     95
    141.38   1.579    120
    139.63   1.560    249
    137.69   1.538    290
    136.63   1.526    180
    134.38   1.501    234
    131.69   1.471    365
    130.88   1.462    421
    128.94   1.440    266
    126.44   1.412    453
    124.50   1.391    576
    124.06   1.386    571
    122.69   1.370    516
    122.38   1.367    517
    120.44   1.345    456
    119.56   1.335    478
    117.94   1.317    461
    117.06   1.308    422
    116.13   1.297    433
    110.69   1.236    151
    109.06   1.218    115
    108.00   1.206     91
    105.38   1.177     50
    104.69   1.169     54
    103.94   1.161     42
    103.44   1.155     43
    102.94   1.150     46
    102.19   1.142     37
    101.25   1.131     44
     94.06   1.051     75
     93.63   1.046     59
     91.75   1.025    283
     90.94   1.016    479
     90.13   1.007    346
     84.06   0.939   1000
     83.44   0.932    590
     80.13   0.895    598
     77.38   0.865    237
     76.31   0.853    315
     74.88   0.837    224

in CDCl3