3-(2-METHOXYPHENYL)PROPIONIC ACID(6342-77-4) ¹³C NMR

Product Name3-(2-METHOXYPHENYL)PROPIONIC ACID

CAS 6342-77-4

Molecular FormulaC10H12O3

Molecular Weight180.2

InChIInChI=1S/C10H12O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)

InChIKey XSZSNLOPIWWFHS-UHFFFAOYSA-N

SmilesC1(CCC(O)=O)=CC=CC=C1OC

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Mass

MS-NW-6671          
3-(o-methoxyphenyl)propionic acid
C10H12O3            (Mass of molecular ion:    180)

   Source Temperature: 140 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       1.1
      27.0       2.9
      28.0       1.6
      38.0       1.3
      39.0       7.2
      41.0       1.8
      45.0       2.3
      50.0       2.6
      51.0       8.0
      52.0       2.8
      53.0       1.4
      55.0       1.6
      62.0       1.1
      63.0       4.3
      64.0       1.5
      65.0      11.3
      66.0       1.1
      75.0       1.1
      76.0       1.0
      77.0      13.6
      78.0       5.4
      79.0       3.6
      89.0       2.4
      90.0       1.8
      91.0      79.8
      92.0       7.3
      93.0       5.7
     102.0       1.1
     103.0       5.0
     104.0       1.2
     105.0       4.3
     107.0       2.6
     108.0       4.0
     119.0      10.1
     120.0       2.8
     121.0     100.0
     122.0       8.9
     123.0       2.0
     134.0      25.5
     135.0       4.8
     147.0       1.0
     180.0      64.3
     181.0       7.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₂ O₃	0.037 g : 0.5 ml DMSO-d₆
3-(o-methoxyphenyl)propionic acid

    Assign.     Shift(ppm)

      A            12.0
      B             7.188
      C             7.143
      D             6.943
      E             6.859
      F             3.783
      G             2.787
      J             2.471

     Hz     ppm     Int.

   2882.12   7.212     38
   2880.29   7.208     44
   2873.88   7.191     68
   2872.78   7.189     73
   2866.56   7.173     49
   2864.72   7.169     59
   2859.41   7.155     77
   2857.76   7.151     66
   2852.09   7.137     89
   2850.44   7.133     70
   2779.00   6.954    103
   2778.45   6.953    104
   2770.94   6.934     90
   2770.21   6.932     86
   2748.78   6.878     64
   2747.68   6.876     59
   2741.27   6.860    111
   2740.35   6.857    102
   2733.94   6.841     52
   2732.84   6.839     47
   1512.22   3.784   1000
   1122.26   2.809     89
   1114.75   2.790    159
   1106.69   2.770    114
    994.96   2.490    145
    990.20   2.478     40
    988.00   2.473    123
    986.90   2.470    199
    984.70   2.464     38
    979.39   2.451    112

DMSO-d6