ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>115595-27-2更多图谱> 4-(3-丁烯氧基)苯甲酸(115595-27-2)核磁图(13CNMR)

115595-27-2

4-(3-丁烯氧基)苯甲酸(115595-27-2)核磁图(13CNMR)

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

  • 图谱
    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

  • 图谱

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

  • 图谱

KBr disc

  • 图谱

nujol mull

  • 图谱

×