29056-06-2

对丁氧基苯乙酸甲酯(29056-06-2)核磁图(¹HNMR)

产品名称:对丁氧基苯乙酸甲酯

CAS:29056-06-2

分子式:C13H18O3

分子量: 222.28

InChI:InChI=1S/C13H18O3/c1-3-4-9-16-12-7-5-11(6-8-12)10-13(14)15-2/h5-8H,3-4,9-10H2,1-2H3

InChIKey: IEPLOMKGNGXJAW-UHFFFAOYSA-N

Smiles:C1(CC(OC)=O)=CC=C(OCCCC)C=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4179          
methyl p-butoxyphenylacetate
C13H18O3            (Mass of molecular ion:    222)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      29.0       3.6
      41.0       3.2
      57.0       2.3
      59.0       1.0
      77.0       2.9
      78.0       1.9
      89.0       1.2
     106.0       1.6
     107.0     100.0
     108.0       8.4
     121.0       1.0
     134.0       1.5
     163.0       9.4
     164.0       1.1
     166.0      27.8
     167.0       2.8
     222.0      21.0
     223.0       3.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₈ O₃	0.05 ml : 0.5 ml CDCl₃
methyl p-butoxyphenylacetate

    Assign.     Shift(ppm)

      A             7.166
      B             6.839
      C             3.923
      D             3.660
      E             3.541
      F             1.739
      G             1.474
      J             0.960

     Hz     ppm     Int.

   2868.41   7.178    209
   2866.33   7.173     71
   2861.82   7.161     80
   2859.74   7.156    230
   2856.69   7.148     30
   2740.23   6.857     36
   2737.30   6.850    274
   2735.23   6.845     85
   2730.71   6.833     84
   2728.64   6.828    239
   1574.34   3.940    172
   1567.87   3.924    333
   1561.40   3.907    174
   1462.65   3.660   1000
   1415.28   3.542    457
    709.96   1.777     36
    703.61   1.761     95
    700.32   1.753     34
    697.14   1.745     97
    696.17   1.742    111
    694.70   1.739     74
    693.97   1.737     73
    690.55   1.728     42
    689.45   1.726     60
    688.35   1.723    104
    681.88   1.707     48
    600.34   1.503     80
    594.60   1.488     49
    592.77   1.484    117
    587.28   1.470     50
    585.21   1.465    120
    577.76   1.446     78
    390.99   0.979    293
    383.67   0.961    536
    376.22   0.942    256

in CDCl3