Ethyl 4-methoxybenzoate(94-30-4) ¹³C NMR

Product NameEthyl 4-methoxybenzoate

CAS 94-30-4

Molecular FormulaC10H12O3

Molecular Weight180.2

InChIInChI=1S/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3

InChIKey FHUODBDRWMIBQP-UHFFFAOYSA-N

SmilesC(OCC)(=O)C1=CC=C(OC)C=C1

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Mass

MS-NW-0583          
ethyl anisate
C10H12O3            (Mass of molecular ion:    180)

   Source Temperature: 270 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0       2.8
      28.0       1.1
      29.0       2.9
      38.0       1.9
      39.0       1.2
      50.0       2.5
      51.0       1.6
      62.0       1.0
      63.0       4.1
      64.0       6.3
      65.0       1.7
      75.0       1.0
      76.0       1.7
      77.0      13.1
      78.0       1.4
      79.0       1.1
      92.0       9.7
      93.0       1.0
     107.0       7.6
     108.0       1.6
     135.0     100.0
     136.0      12.0
     137.0       1.1
     152.0      17.6
     153.0       1.4
     165.0       2.0
     180.0      30.0
     181.0       3.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ O₃	0.04 ml : 0.5 ml CDCl₃
ethyl anisate

    Assign.     Shift(ppm)

      A             7.991
      B             6.906
      C             4.338
      D             3.839
      E             1.374

     Hz     ppm     Int.

    723.31   8.077     23
    720.56   8.046    231
    718.44   8.022     65
    713.69   7.969     68
    711.50   7.945    266
    708.75   7.914     29
    625.25   6.982     25
    622.56   6.952    228
    620.38   6.927     60
    615.63   6.874     53
    613.50   6.851    181
    399.63   4.463     57
    392.38   4.382    219
    385.25   4.302    230
    378.25   4.224     70
    343.81   3.839   1000
    129.94   1.451    231
    122.88   1.373    523
    115.69   1.292    206

in CDCl3