1885-13-8

4-Methoxyphthalic acid(1885-13-8) MS

Product Name4-Methoxyphthalic acid

CAS 1885-13-8

Molecular FormulaC9H8O5

Molecular Weight196.16

InChIInChI=1S/C9H8O5/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

InChIKey JKZSIEDAEHZAHQ-UHFFFAOYSA-N

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

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¹HNMR

IR1

IR2

4-Methoxyphthalic acid(1885-13-8) MS
Mass

MS-IW-6372          
4-methoxyphthalic acid
C9H8O5              (Mass of molecular ion:    196)

   Source Temperature: 160 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      17.0       2.6
      18.0      12.7
      28.0      21.7
      31.5       1.0
      37.0       3.2
      38.0       1.8
      39.0       1.7
      44.0       5.3
      49.0       1.1
      50.0       3.6
      51.0       1.9
      52.0       1.5
      53.0       2.9
      61.0       3.8
      62.0      10.5
      63.0      40.8
      64.0       3.2
      65.0       2.4
      67.0       1.7
      73.0       2.2
      74.0       9.7
      75.0       8.7
      76.0       2.8
      77.0       2.9
      78.0       1.3
      79.0       1.1
      81.0       1.0
      91.0       5.8
      92.0       1.8
      95.0       1.4
     103.0       1.2
     105.0       1.9
     106.0      63.7
     107.0       7.6
     108.0       2.1
     119.0       2.0
     134.0      74.0
     135.0      19.6
     136.0       2.0
     151.0       3.4
     152.0      15.4
     153.0       1.4
     178.0     100.0
     179.0      16.5
     180.0       1.9
     196.0      23.7
     197.0       2.5