68480-29-5

2-壬炔酸-顺-3-己烯酯(68480-29-5)质谱(MS)

产品名称:2-壬炔酸-顺-3-己烯酯

CAS:68480-29-5

分子式:C15H24O2

分子量: 236.35

InChI:InChI=1S/C15H24O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h6,8H,3-5,7,9-10,12,14H2,1-2H3/b8-6-

InChIKey: PDPNRGJWKDIKKR-VURMDHGXSA-N

Smiles:C(OCC/C=C\CC)(=O)C#CCCCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7357          
cis-3-hexenyl 2-nonynoate
C15H24O2            (Mass of molecular ion:    236)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       6.2
      28.0       1.5
      29.0       6.4
      38.0       1.0
      39.0       9.7
      40.0       1.8
      41.0      24.6
      42.0       3.5
      43.0      11.9
      44.0       5.1
      50.0       1.0
      51.0       2.3
      52.0       1.7
      53.0       6.7
      54.0       6.8
      55.0      18.9
      56.0       1.7
      65.0       2.9
      66.0       5.0
      67.0      70.5
      68.0       6.1
      69.0       7.2
      70.0       1.2
      77.0       2.6
      79.0       6.3
      80.0       1.4
      81.0      14.6
      82.0     100.0
      83.0       9.2
      91.0       1.4
      93.0       1.5
      95.0       3.0
     107.0       1.2
     137.0      16.9
     138.0       1.8
     155.0       3.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₂₄ O₂	0.05 ml : 0.5 ml CDCl₃
cis-3-hexenyl 2-nonynoate

    Assign.     Shift(ppm)

      A             5.524
      B             5.318
      C             4.141
      D             2.415
      E             2.323
      F             2.061
      G             1.574
      J             1.402
      K             1.30
      L             0.975
      M             0.892

     Hz     ppm     Int.

   2221.31   5.559     39
   2215.45   5.544     45
   2213.99   5.540     80
   2212.28   5.536     58
   2210.45   5.531     54
   2208.86   5.527     37
   2206.67   5.522     46
   2204.71   5.517     66
   2203.13   5.513    100
   2201.66   5.509     56
   2197.39   5.499     30
   2195.92   5.495     52
   2137.33   5.349     49
   2131.59   5.334     58
   2130.00   5.330    102
   2128.42   5.326     70
   2126.59   5.322     45
   2124.39   5.316     38
   2122.68   5.312     55
   2120.97   5.308     64
   2119.26   5.303     80
   2117.68   5.299     45
   2111.94   5.285     40
   1662.23   4.160    306
   1655.27   4.142    606
   1648.19   4.125    314
    976.68   2.444     72
    975.95   2.443     70
    975.22   2.441     71
    969.73   2.427    193
    968.99   2.425    193
    968.26   2.423    194
    962.40   2.409    195
    961.67   2.407    190
    960.94   2.405    186
    955.32   2.391     71
    954.71   2.389     70
    953.86   2.387     69
    935.91   2.342    295
    928.71   2.324    589
    921.63   2.307    314
    839.84   2.102     34
    838.99   2.100     32
    838.26   2.098     35
    832.28   2.083    135
    831.54   2.081    123
    830.69   2.079    129
    824.83   2.064    199
    824.10   2.063    186
    823.36   2.061    194
    817.38   2.046    143
    816.65   2.044    131
    815.80   2.042    140
    809.94   2.027     41
    809.20   2.025     37
    808.35   2.023     39
    644.04   1.612     48
    636.96   1.594    142
    629.88   1.577    181
    629.15   1.575    187
    621.83   1.556    173
    614.62   1.538     74
    575.20   1.440     54
    567.99   1.422    101
    566.28   1.417     94
    561.16   1.405    115
    560.42   1.403    119
    559.08   1.399    103
    555.54   1.391     73
    552.73   1.384    104
    545.65   1.366     63
    538.70   1.348     38
    535.64   1.341     48
    530.27   1.327     91
    529.66   1.326     93
    528.44   1.323     85
    526.12   1.317     69
    522.71   1.308    193
    519.65   1.301    293
    516.60   1.293    218
    515.87   1.291    220
    514.65   1.288    179
    512.45   1.283    172
    509.03   1.274    138
    505.13   1.264     70
    503.05   1.259     46
    501.59   1.256     41
    500.00   1.252     31
    397.22   0.994    554
    389.77   0.976   1000
    382.20   0.957    522
    363.65   0.910    282
    356.81   0.893    730
    349.73   0.876    315

in CDCl3