5-Methylisatin(608-05-9) 1H NMR
Product Name5-Methylisatin
CAS608-05-9
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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MassMS2016-05362CM 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
in DMSO-d6
90 MHz in DMSO-d6
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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
in DMSO-d6
KBr disc
nujol mull
