Isatin(91-56-5) 1H NMR
Molecular FormulaC8H5NO2
Molecular Weight147.13
InChIInChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChIKey JXDYKVIHCLTXOP-UHFFFAOYSA-N
SmilesN1C2=C(C=CC=C2)C(=O)C1=O
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MassMS-NW-0673 2,3-indolinedione C8H5NO2 (Mass of molecular ion: 147)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.6 26.0 1.2 27.0 1.2 28.0 3.0 37.0 7.3 38.0 10.5 39.0 8.7 40.0 1.7 41.0 4.0 44.5 2.0 45.5 5.6 49.0 1.6 50.0 10.1 51.0 2.9 52.0 7.6 53.0 1.7 59.5 1.5 61.0 3.5 62.0 5.7 63.0 19.2 64.0 26.4 65.0 5.6 74.0 3.2 75.0 2.7 76.0 7.4 90.0 7.8 91.0 18.3 92.0 64.4 93.0 4.5 119.0 100.0 120.0 7.9 147.0 43.3 148.0 4.2
in DMSO-d6
in DMSO-d6
KBr disk
nujol mull
