22479-95-4

DIMETHYL 4-HYDROXYPHTHALATE(22479-95-4) MS

Product NameDIMETHYL 4-HYDROXYPHTHALATE

CAS 22479-95-4

Molecular FormulaC10H10O5

Molecular Weight210.18

InChIInChI=1S/C10H10O5/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5,11H,1-2H3

InChIKey JJXVDRYFBGDXOU-UHFFFAOYSA-N

SmilesC1(C(OC)=O)=CC=C(O)C=C1C(OC)=O

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DIMETHYL 4-HYDROXYPHTHALATE(22479-95-4) MS
Mass

MS-NW-9410          
dimethyl 4-hydroxyphthalate
C10H10O5            (Mass of molecular ion:    210)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       2.2
      39.0       1.8
      52.0       1.2
      53.0       1.5
      62.0       1.6
      63.0       4.8
      64.0       1.6
      65.0       5.2
      80.0       1.6
      92.0       3.5
      93.0       5.2
      95.0       1.4
     108.0       4.8
     119.0       1.8
     120.0       2.7
     121.0       2.7
     136.0       3.3
     149.0       7.7
     150.0       1.1
     151.0       6.7
     179.0     100.0
     180.0      10.1
     181.0       1.9
     210.0      28.0
     211.0       3.4

400 MHz in CDCl3

DIMETHYL 4-HYDROXYPHTHALATE(22479-95-4) MS

¹H NMR	399.65 MHz
C₁₀ H₁₀ O₅	0.031 g : 0.5 ml CDCl₃
dimethyl 4-hydroxyphthalate

    Assign.     Shift(ppm)

      A             7.83
      B             7.723
      C             7.000
      D             6.918
      E     *1      3.895
      F     *1      3.858

     Hz     ppm     Int.

   3090.82   7.734    165
   3082.28   7.713    176
   2798.83   7.004    159
   2796.63   6.998    180
   2770.39   6.933    123
   2767.82   6.926    103
   2761.84   6.911    116
   2759.28   6.905    103
   1556.64   3.896   1000
   1541.87   3.859    962

in CDCl3