geranylgeraniol(7614-21-3) 13C NMR
Product Namegeranylgeraniol
CAS7614-21-3
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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MassMS-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
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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
