109-20-6

(E)-3,7-二甲基-2,6-辛二烯醇3-甲基丁酸酯(109-20-6)Raman光谱

产品名称:(E)-3,7-二甲基-2,6-辛二烯醇3-甲基丁酸酯

CAS:109-20-6

分子式:C15H26O2

分子量: 238.37

InChI:InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+

InChIKey: SOUKTGNMIRUIQN-NTEUORMPSA-N

Smiles:C(OC/C=C(\C)/CC/C=C(\C)/C)(=O)CC(C)C

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₂₆ O₂	0.04 ml : 0.5 ml CDCl₃
geranyl isovalerate

    Assign.     Shift(ppm)

      A             5.347
      B             5.086
      C             4.593
      D             2.171
      E          2.13 to 2.08
      F             2.05
      G             1.705
      J             1.678
      K             1.600
      L             0.954
     
     ASSIGNED BY H-H COSY.

     Hz     ppm     Int.

   2139.04   5.353     30
   2137.70   5.349     53
   2136.47   5.346     54
   2135.13   5.343     31
   2038.45   5.101     33
   2034.06   5.090     41
   2032.84   5.087     58
   2031.74   5.084     63
   2030.27   5.081     46
   2024.90   5.067     32
   1839.36   4.603    138
   1838.75   4.601    137
   1832.15   4.585    133
   1831.67   4.584    133
    876.95   2.195    117
    875.98   2.192    166
    872.92   2.185     74
    871.83   2.182    104
    869.38   2.176    282
    865.23   2.165    173
    854.13   2.138     45
    851.56   2.131     36
    847.78   2.122     70
    845.46   2.116     69
    844.12   2.113     49
    843.38   2.111     51
    841.43   2.106     87
    839.84   2.102     70
    838.75   2.099     80
    837.28   2.096     83
    834.72   2.089     74
    833.50   2.086     65
    832.15   2.083     60
    830.81   2.079     66
    828.13   2.073     33
    826.90   2.070     35
    823.12   2.060     97
    817.87   2.047     54
    815.80   2.042     56
    682.01   1.707    363
    681.40   1.705    346
    680.66   1.704    340
    671.39   1.680    461
    670.41   1.678    449
    639.65   1.601    482
    388.43   0.972     66
    384.40   0.962   1000
    377.81   0.946    937

in CDCl3