7614-21-3

geranylgeraniol(7614-21-3) MS

Product Namegeranylgeraniol

CAS 7614-21-3

Molecular FormulaC20H34O

Molecular Weight290.48

InChIInChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3

InChIKey OJISWRZIEWCUBN-UHFFFAOYSA-N

SmilesC(O)C=C(C)CCC=C(C)CCC=C(C)CC/C=C(/C)\C

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¹HNMR

¹³CNMR

IR1

geranylgeraniol(7614-21-3) MS
Mass

MS-IW-2182          
3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-ol
C20H34O             (Mass of molecular ion:    290)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       2.7
      28.0       1.2
      29.0       7.1
      39.0       4.1
      40.0       1.3
      41.0      35.3
      42.0       1.9
      43.0       7.7
      53.0       6.1
      55.0      12.3
      56.0       1.0
      57.0       5.1
      65.0       1.6
      67.0      11.4
      68.0      13.7
      69.0     100.0
      70.0       5.9
      71.0       2.8
      77.0       3.7
      79.0       7.0
      80.0       3.9
      81.0      42.1
      82.0       5.2
      83.0       3.4
      84.0       3.2
      85.0       1.1
      91.0       5.1
      92.0       2.8
      93.0      23.0
      94.0       4.4
      95.0      14.8
      96.0       2.0
      97.0       2.5
     105.0       4.8
     106.0       1.4
     107.0      12.7
     108.0       2.9
     109.0       9.9
     110.0       1.4
     111.0       1.8
     119.0       6.0
     120.0       2.9
     121.0      10.2
     122.0       3.9
     123.0       8.5
     124.0       1.4
     132.0       1.6
     133.0       4.7
     134.0       3.1
     135.0      10.9
     136.0      10.2
     137.0       9.8
     138.0       2.0
     145.0       1.0
     147.0       3.5
     148.0       1.9
     149.0       2.9
     159.0       1.3
     161.0       4.1
     162.0       1.0
     163.0       1.2
     175.0       1.0
     177.0       1.7
     189.0       2.0
     191.0       1.4
     203.0       2.6
     204.0       2.6
     221.0       1.3
     272.0       1.9

400 MHz in CDCl3

geranylgeraniol(7614-21-3) MS

¹H NMR	399.65 MHz
C₂₀ H₃₄ O	0.05 ml : 0.5 ml CDCl₃
3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-ol

    Assign.     Shift(ppm)

      A             5.404
      B             5.11
      C             5.095
      D             4.127
      E             2.3
      F          2.09 to 1.99
      G             1.67
      J             1.59

     Hz     ppm     Int.

   2167.36   5.424     32
   2166.14   5.421     35
   2160.52   5.407     66
   2159.30   5.403     69
   2158.08   5.400     42
   2153.69   5.389     35
   2152.47   5.386     35
   2045.53   5.119     97
   2044.31   5.116    112
   2043.09   5.113    117
   2041.87   5.110    116
   2040.77   5.107    111
   2039.06   5.103    100
   2037.60   5.099    109
   2036.25   5.096    118
   2034.91   5.092    106
   2030.64   5.082     42
   2029.30   5.078     45
   2027.83   5.075     36
   1652.71   4.136    179
   1645.87   4.119    178
    864.75   2.164     32
    863.53   2.161     32
    861.94   2.157     37
    848.75   2.124     73
    846.07   2.118     55
    840.94   2.105    117
    833.50   2.086    153
    825.56   2.066    164
    818.85   2.049    242
    811.16   2.030    140
    800.78   2.004    128
    794.68   1.989    195
    790.89   1.979    130
    786.25   1.968    157
    779.66   1.951     55
    667.36   1.670    633
    666.38   1.668    596
    637.33   1.595   1000

in CDCl3

liquid film

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