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Isatin

View entire compound with spectra: 61 NMR, 5 FTIR, 1 Raman, 1 UV-Vis, and 17 MS (GC)

Isatin
SpectraBase Compound ID JcZvio7n18S
InChI InChI=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
Mol Weight 147.13 g/mol
Molecular Formula C8H5NO2
Exact Mass 147.032028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7O93MNvCCy3
Name 1H-Indole-2,3-dione
Alternate Name(s) Indole-2,3-dione 2,3-Diketoindoline 2,3-Dioxo-2,3-dihydroindole 2,3-Dioxoindoline 2,3-Indolinedione 2,3-Ketoindoline Indoline-2,3-dione Isatic acid lactam Isatin Isatine Isatinic acid anhydride Isotin o-Aminobenzoylformic anhydride Pseudoisatin Tribulin AI3-03111 BRN 0383659 EINECS 202-077-8 NSC 9262
CAS Registry Number 91-56-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO2
InChI InChI=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
Molecular Weight 147.133 g/mol
SMILES N1C(C(c2c1cccc2)=O)=O
SPLASH splash10-014m-9500000000-f3a1cda14fd83624a55c
Wiley ID 1488250