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返回ChemicalBook首页>CAS数据库列表>7469-83-2更多图谱> 1-(4-甲氧基苯基)-1-环己烷羧酸(7469-83-2)红外图谱(IR1)

7469-83-2

1-(4-甲氧基苯基)-1-环己烷羧酸(7469-83-2)红外图谱(IR1)

分子式:C14H18O3

分子量: 234.29

InChI:InChI=1S/C14H18O3/c1-17-12-7-5-11(6-8-12)14(13(15)16)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3,(H,15,16)

InChIKey: JKJAJSWMKTWWJS-UHFFFAOYSA-N

Smiles:C1(C2=CC=C(OC)C=C2)(C(O)=O)CCCCC1

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    Mass

    MS-NW-6677          
    1-(p-methoxyphenyl)-1-cyclohexanecarboxylic acid
    C14H18O3            (Mass of molecular ion:    234)
    

       Source Temperature: 130 °C
       Sample Temperature:  90 °C
       Direct, 75 eV
    

          15.0       1.2
          18.0       3.6
          27.0       2.9
          28.0       3.5
          29.0       2.9
          39.0       4.9
          41.0       5.5
          43.0       1.4
          44.0       1.0
          45.0       1.3
          50.0       1.4
          51.0       3.5
          52.0       1.4
          53.0       3.3
          55.0       4.5
          63.0       3.0
          64.0       1.6
          65.0       4.0
          66.0       1.0
          67.0       1.3
          76.0       1.2
          77.0       8.7
          78.0       3.9
          79.0       4.0
          81.0      13.0
          82.0       1.0
          89.0       2.6
          90.0       2.7
          91.0       7.9
          92.0       1.7
         102.0       1.8
         103.0       3.3
         104.0       1.4
         105.0       1.6
         107.0       2.1
         108.0       1.5
         109.0       1.9
         115.0       6.3
         116.0       2.0
         117.0       3.1
         118.0       1.8
         119.0       1.4
         121.0      92.6
         122.0       8.8
         127.0       1.4
         128.0       2.8
         129.0       2.8
         130.0       1.1
         131.0       1.8
         132.0       1.5
         133.0       7.3
         134.0       2.3
         135.0       2.1
         144.0       1.1
         145.0       3.1
         146.0       1.1
         147.0       7.9
         148.0       1.7
         159.0       3.4
         160.0       3.2
         173.0       1.4
         178.0       2.0
         187.0       1.4
         188.0       4.5
         189.0     100.0
         190.0      15.2
         191.0       1.7
         234.0      22.4
         235.0       3.9
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C14 H18 O3 0.040 g : 0.5 ml DMSO-d6
    1-(p-methoxyphenyl)-1-cyclohexanecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.3 B 7.304 C 6.893 D 3.722 E 2.33 F 1.58 G 1.42 J 1.23

         Hz     ppm     Int.
    

       4896.77  12.253    120
       2922.24   7.312    263
       2913.45   7.291    282
       2757.57   6.900    289
       2748.78   6.878    260
       1488.04   3.724   1000
        933.42   2.336    120
        927.74   2.322     90
        922.06   2.308    119
        644.01   1.612    167
        641.27   1.605    154
        633.21   1.585    314
        622.03   1.557    147
        621.30   1.555    146
        620.93   1.554    145
        569.46   1.425    109
        558.66   1.398     98
        558.11   1.397     99
        557.74   1.396     99
        494.18   1.237     56
        493.82   1.236     56
        493.45   1.235     56
    

KBr disc

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nujol mull

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