7469-83-2

1-(4-甲氧基苯基)-1-環(huán)己烷羧酸(7469-83-2)紅外圖譜(IR2)

產(chǎn)品名稱:1-(4-甲氧基苯基)-1-環(huán)己烷羧酸

CAS:7469-83-2

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

¹HNMR

IR1

IR2

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

¹H NMR	399.65 MHz
C₁₄ H₁₈ O₃	0.040 g : 0.5 ml DMSO-d₆
1-(p-methoxyphenyl)-1-cyclohexanecarboxylic acid

    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