39755-95-8

5-Methoxyisatin(39755-95-8) MS

Product Name5-Methoxyisatin

CAS 39755-95-8

Molecular FormulaC9H7NO3

Molecular Weight177.16

InChIInChI=1S/C9H7NO3/c1-13-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)

InChIKey DMHGXMPXHPOXBF-UHFFFAOYSA-N

SmilesN1C2=C(C=C(OC)C=C2)C(=O)C1=O

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¹HNMR

IR1

5-Methoxyisatin(39755-95-8) MS
Mass

MS2001-00873WA      
5-methoxyisatin
C9H7NO3             (Mass of molecular ion:    177)

   Source Temperature: 240 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      15.0       1.5
      18.0       3.5
      26.0       1.1
      37.0       1.2
      38.0       1.5
      39.0       2.0
      43.0       1.2
      50.0       4.0
      51.0       9.1
      52.0      10.9
      53.0       4.8
      54.0       1.2
      57.0       1.1
      60.0       1.0
      61.0       2.5
      62.0       5.7
      63.0      10.1
      64.0       2.2
      65.0       2.1
      74.0       2.1
      75.0       2.4
      76.0       1.9
      77.0       4.3
      78.0       5.0
      79.0      13.2
      80.0       8.2
      90.0       2.6
      91.0       1.3
      92.0       1.4
     106.0      96.1
     107.0       7.3
     120.0       5.0
     121.0      33.2
     122.0       3.0
     134.0      10.7
     135.0       1.0
     149.0     100.0
     150.0       9.0
     176.0       1.4
     177.0      64.7
     178.0       6.7

400MHZ in DMSO-d6