2930-02-1

4-乙基苯基缩水甘油醚(2930-02-1)红外图谱(IR1)

产品名称:4-乙基苯基缩水甘油醚

CAS:2930-02-1

分子式:C11H14O2

分子量: 178.23

InChI:InChI=1S/C11H14O2/c1-2-9-3-5-10(6-4-9)12-7-11-8-13-11/h3-6,11H,2,7-8H2,1H3

InChIKey: AQKZSTFCPAOFIV-UHFFFAOYSA-N

Smiles:O1CC1COC1=CC=C(CC)C=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3525          
2,3-epoxypropyl p-ethylphenyl ether
C11H14O2            (Mass of molecular ion:    178)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       9.5
      28.0       1.4
      29.0      18.4
      31.0      14.4
      39.0       7.2
      40.0       1.0
      41.0       3.7
      43.0       1.0
      50.0       1.9
      51.0       5.6
      52.0       2.5
      53.0       2.9
      55.0       1.8
      57.0      20.0
      62.0       1.1
      63.0       3.5
      64.0       1.1
      65.0       5.8
      66.0       1.1
      77.0      20.7
      78.0       6.2
      79.0      11.9
      89.0       2.0
      90.0       1.5
      91.0      10.8
      92.0       1.8
      93.0       3.7
      94.0       2.1
     103.0       6.5
     104.0       1.7
     105.0      23.1
     106.0       2.4
     107.0     100.0
     108.0       8.1
     119.0       3.8
     120.0       2.7
     121.0       7.2
     122.0      26.1
     123.0       2.6
     133.0       9.8
     134.0       1.1
     135.0      17.4
     136.0       1.8
     147.0       1.3
     148.0       6.0
     149.0       1.1
     163.0      19.5
     164.0       2.5
     178.0      64.4
     179.0       7.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₄ O₂	0.05 ml : 0.5 ml CDCl₃
2,3-epoxypropyl p-ethylphenyl ether

    Assign.     Shift(ppm)

      A             7.089
      B             6.831
      C     *1      4.153
      D     *1      3.901
      E             3.305
      F             2.848
      G             2.705
      J             2.572
      K             1.193
     
     J(C,D)=-11.1HZ
     J(C,E)=3.2HZ
     J(D,E)=5.6HZ
     J(E,F)=4.0HZ
     J(E,G)=2.7HZ
     J(F,G)=-5.0HZ

     Hz     ppm     Int.

   2841.06   7.109     48
   2838.13   7.102    340
   2835.94   7.097    127
   2831.54   7.086    148
   2829.96   7.082    324
   2829.35   7.080    386
   2827.15   7.075     60
   2826.42   7.073     62
   2737.30   6.850     65
   2734.38   6.842    450
   2732.18   6.837    156
   2727.66   6.826    148
   2725.59   6.820    381
   2722.66   6.813     60
   1667.72   4.173    154
   1664.55   4.166    157
   1656.62   4.146    186
   1653.44   4.138    189
   1566.89   3.921    167
   1561.28   3.907    176
   1555.91   3.894    139
   1550.29   3.880    142
   1328.49   3.325     55
   1325.68   3.318     82
   1325.32   3.317     85
   1324.34   3.314     78
   1322.63   3.310    118
   1321.66   3.308     96
   1321.17   3.306     98
   1320.07   3.304     94
   1319.70   3.303     91
   1318.60   3.300    118
   1316.89   3.296     75
   1316.04   3.293     84
   1315.55   3.292     79
   1312.87   3.286     56
   1142.82   2.860    181
   1138.67   2.850    221
   1137.82   2.848    229
   1133.67   2.837    200
   1084.84   2.715    200
   1082.15   2.708    200
   1079.83   2.702    175
   1077.15   2.696    165
   1039.43   2.601    107
   1031.86   2.582    308
   1024.29   2.563    315
   1016.72   2.545    116
    484.50   1.213    559
    482.18   1.207     43
    480.35   1.202     50
    476.93   1.194   1000
    469.36   1.175    550

in CDCl3

liquid film