4-(2-HYDROXYETHOXY)BENZOIC ACID METHYL ESTER(3204-73-7) MS

Product Name4-(2-HYDROXYETHOXY)BENZOIC ACID METHYL ESTER

CAS 3204-73-7

Molecular FormulaC10H12O4

Molecular Weight196.2

InChIInChI=1S/C10H12O4/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h2-5,11H,6-7H2,1H3

InChIKey VFBYWNSASHHPPA-UHFFFAOYSA-N

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

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4-(2-HYDROXYETHOXY)BENZOIC ACID METHYL ESTER(3204-73-7) MS
Mass

MS-IW-5647          
methyl p-(2-hydroxyethoxy)benzoate
C10H12O4            (Mass of molecular ion:    196)

   Source Temperature: 130 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.8
      27.0       1.0
      39.0       2.3
      43.0       1.0
      45.0       6.5
      50.0       1.9
      59.0       1.6
      63.0       1.8
      64.0       1.5
      65.0       6.2
      75.0       1.7
      76.0       2.8
      77.0       2.6
      91.0       2.3
      92.0       2.0
      93.0       8.1
      94.0       1.1
     103.0       3.0
     104.0       1.7
     105.0       1.2
     107.0       1.3
     109.0       2.2
     119.0       1.2
     120.0       2.5
     121.0     100.0
     122.0       8.2
     123.0       1.1
     135.0       6.0
     151.0       3.1
     152.0      30.6
     153.0      10.8
     165.0      14.9
     166.0       1.5
     196.0      42.3
     197.0       4.9

400 MHz in CDCl3

4-(2-HYDROXYETHOXY)BENZOIC ACID METHYL ESTER(3204-73-7) MS

¹H NMR	399.65 MHz
C₁₀ H₁₂ O₄	0.039 g : 0.5 ml CDCl₃
methyl p-(2-hydroxyethoxy)benzoate

    Assign.     Shift(ppm)

      A             7.979
      B             6.919
      C             4.124
      D             3.98
      E             3.882
      F             2.54

     Hz     ppm     Int.

   3196.41   7.999     35
   3193.60   7.991    266
   3191.53   7.986     81
   3186.77   7.974     89
   3184.57   7.969    271
   3181.76   7.962     31
   2772.46   6.938     34
   2769.65   6.931    248
   2767.58   6.926     75
   2762.82   6.914     80
   2760.74   6.908    236
   2757.93   6.901     27
   1653.20   4.137    118
   1651.49   4.133     41
   1648.93   4.126    171
   1647.58   4.123    106
   1644.04   4.114    178
   1592.29   3.985     78
   1551.51   3.883   1000
   1015.50   2.541     41

in CDCl3