Tetrahydrolinalool(78-69-3) ¹³C NMR

Product NameTetrahydrolinalool

CAS 78-69-3

Molecular FormulaC10H22O

Molecular Weight158.28

InChIInChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3

InChIKey DLHQZZUEERVIGQ-UHFFFAOYSA-N

SmilesCCC(C)(O)CCCC(C)C

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Mass

MS-NW-7073          
3,7-dimethyl-3-octanol
C10H22O             (Mass of molecular ion:    158)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       5.2
      28.0       2.7
      29.0       7.0
      31.0       2.2
      39.0       3.5
      41.0      11.3
      42.0       2.1
      43.0      15.9
      45.0       5.6
      53.0       1.2
      55.0      26.7
      56.0       3.0
      57.0       5.1
      58.0       2.3
      59.0       1.9
      69.0      47.2
      70.0       7.9
      71.0       2.9
      72.0       2.6
      73.0     100.0
      74.0       4.6
      83.0       4.5
      84.0       1.0
      85.0       1.3
     111.0       9.6
     112.0       1.0
     125.0       1.3
     129.0       7.1
     143.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₂₂ O	0.05 ml : 0.5 ml CDCl₃
3,7-dimethyl-3-octanol

    Assign.     Shift(ppm)

      A             1.551
      B             1.481
      C             1.42
      D             1.41
      E             1.32
      F             1.17
      G             1.141
      J             0.890
      K             0.879
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

    633.91   1.587     30
    627.20   1.570     63
    620.61   1.553     81
    613.89   1.537     71
    607.18   1.520     42
    604.00   1.512     67
    596.44   1.493    212
    588.87   1.474    239
    581.42   1.455     95
    573.00   1.434     60
    570.68   1.428     71
    567.02   1.419    306
    562.87   1.409     84
    558.84   1.399     72
    555.79   1.391    172
    550.29   1.377     30
    541.63   1.356     44
    540.53   1.353     43
    538.21   1.347     35
    533.57   1.336     72
    530.40   1.328     57
    528.81   1.324     57
    525.63   1.316     73
    524.90   1.314     75
    522.95   1.309     62
    520.87   1.304     46
    518.80   1.299     43
    517.70   1.296     49
    515.87   1.291     47
    513.31   1.285     30
    508.91   1.274     33
    478.39   1.198     87
    471.92   1.181    128
    470.09   1.177     95
    468.14   1.172     56
    464.23   1.162    104
    463.26   1.160    110
    461.43   1.155     46
    456.05   1.142    815
    363.28   0.909    299
    360.72   0.903     45
    355.71   0.891    784
    354.86   0.888    978
    348.27   0.872   1000

in CDCl3