5-Methylisatin(608-05-9) IR2

Product Name5-Methylisatin

CAS 608-05-9

Molecular FormulaC9H7NO2

Molecular Weight161.16

InChIInChI=1S/C9H7NO2/c1-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)

InChIKey VAJCSPZKMVQIAP-UHFFFAOYSA-N

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

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Mass

MS2016-05362CM      
5-methyl-2,3-indolinedione
C9H7NO2             (Mass of molecular ion:    161)

   Source Temperature: 235 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      26.0       1.8
      27.0       3.8
      28.0       1.4
      37.0       1.8
      38.0       2.7
      39.0       5.3
      49.0       1.3
      50.0       8.1
      51.0      13.7
      52.0      11.4
      53.0       3.0
      61.0       1.8
      62.0       3.5
      63.0       6.1
      64.0       2.1
      65.0       1.5
      66.5       1.3
      74.0       2.2
      75.0       2.8
      76.0       4.6
      77.0      14.2
      78.0      21.5
      79.0       1.8
      89.0       3.7
      90.0       2.0
     103.0       1.4
     104.0      46.6
     105.0      12.3
     106.0      15.0
     107.0       1.2
     132.0       2.6
     133.0     100.0
     134.0       9.5
     161.0      50.6
     162.0       8.5

90 MHz in DMSO-d6

in DMSO-d6

¹H NMR	89.56 MHz
C₉ H₇ N O₂	0.040 g : 0.5 ml DMSO-d₆
5-methyl-2,3-indolinedione

    Assign.     Shift(ppm)

      A            10.9
      B             7.39
      C             7.30
      D             6.81
      E             2.255

     Hz     ppm     Int.

    979.10  10.933    106
    667.60   7.455     87
    666.87   7.447     93
    665.77   7.434    110
    665.11   7.427     98
    663.65   7.411     29
    663.35   7.407     28
    662.77   7.401     29
    659.69   7.366    105
    659.03   7.359    122
    657.86   7.346    174
    657.20   7.339    171
    654.57   7.309    223
    653.91   7.302    238
    613.18   6.847    217
    605.35   6.760    161
    209.91   2.344     24
    202.08   2.257   1000