115595-27-2

4-(3-丁烯氧基)苯甲酸(115595-27-2)紅外圖譜(IR2)

產(chǎn)品名稱:4-(3-丁烯氧基)苯甲酸

CAS:115595-27-2

分子式:C11H12O3

分子量: 192.21

InChI:InChI=1S/C11H12O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h2,4-7H,1,3,8H2,(H,12,13)

InChIKey: QXZIOUAINSTHGI-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=C(OCCC=C)C=C1

Mass

MS-IW-4886          
p-(3-butenyloxy)benzoic acid
C11H12O3            (Mass of molecular ion:    192)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       4.9
      27.0       8.5
      28.0       1.8
      29.0      19.6
      38.0       1.4
      39.0      15.3
      41.0       1.3
      50.0       3.0
      51.0       3.4
      53.0       9.3
      54.0      10.2
      55.0     100.0
      56.0       6.5
      63.0       3.1
      64.0       1.7
      65.0      17.5
      66.0       1.6
      74.0       1.0
      75.0       2.4
      76.0       2.4
      77.0       2.7
      79.0       4.4
      81.0       2.1
      91.0       1.5
      92.0       1.2
      93.0       7.9
      95.0       1.2
     103.0       1.1
     104.0       1.0
     105.0       1.2
     110.0       1.6
     119.0       5.6
     120.0       1.0
     121.0      66.1
     122.0       5.3
     123.0       2.7
     138.0      56.8
     139.0       4.5
     147.0       2.1
     151.0      19.7
     152.0       1.8
     164.0      67.2
     165.0       6.6
     175.0       2.4
     192.0      70.5
     193.0      10.2
     194.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₁ H₁₂ O₃	0.038 g : 0.5 ml DMSO-d₆
p-(3-butenyloxy)benzoic acid

    Assign.     Shift(ppm)

      A            12.6
      B             7.905
      C             7.019
      D             5.895
      E             5.185
      F             5.101
      G             4.097
      J             2.506

     Hz     ppm     Int.

   5051.70  12.641    162
   3167.01   7.925    112
   3164.23   7.918    937
   3162.10   7.913    280
   3159.96   7.907     56
   3157.40   7.901    298
   3155.26   7.896   1000
   3152.48   7.889    114
   2812.30   7.037    115
   2809.52   7.030    920
   2807.38   7.025    274
   2802.68   7.013    266
   2800.54   7.008    872
   2797.77   7.001    101
   2377.24   5.949     75
   2370.61   5.932    167
   2366.98   5.923     86
   2363.99   5.916     83
   2360.14   5.906    231
   2353.30   5.889    239
   2349.67   5.880     95
   2346.68   5.872     96
   2343.05   5.863    201
   2336.42   5.847     93
   2082.99   5.213    123
   2081.50   5.209    271
   2079.36   5.203    301
   2077.86   5.200    131
   2065.68   5.169    107
   2064.19   5.165    256
   2062.26   5.161    255
   2060.56   5.156    116
   2046.24   5.121    134
   2044.96   5.117    283
   2043.89   5.115    206
   2042.82   5.112    237
   2041.75   5.109    120
   2035.98   5.095    126
   2034.70   5.092    265
   2033.63   5.089    195
   2032.56   5.086    231
   2031.49   5.084    114
   1644.30   4.115    465
   1637.67   4.098    983
   1631.05   4.082    486
   1012.44   2.534    149
   1011.37   2.531    209
   1006.24   2.518    334
   1004.96   2.515    490
   1003.46   2.511    294
    999.61   2.502    285
    998.33   2.499    434
    996.84   2.495    275
    992.99   2.485    104
    991.71   2.482    147
    990.21   2.478     91

in DMSO-d6