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5-Chloroisatin

View entire compound with spectra: 6 NMR, 4 FTIR, 1 Raman, and 3 MS (GC)

5-Chloroisatin
SpectraBase Compound ID FhqQL9HVbb7
InChI InChI=1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChIKey XHDJYQWGFIBCEP-UHFFFAOYSA-N
Mol Weight 181.58 g/mol
Molecular Formula C8H4ClNO2
Exact Mass 180.993056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8H0OKo7UO5L
Name 5-Chloroisatin
CAS Registry Number 17630-76-1
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1615854 moved to the Legacy library
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4ClNO2
InChI InChI=1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChIKey XHDJYQWGFIBCEP-UHFFFAOYSA-N
Molecular Weight 181.578 g/mol
SMILES N1c2ccc(cc2C(C1=O)=O)Cl
SPLASH splash10-0006-9600000000-94a0a88ec46be524e880
Source of Spectrum C5-2003-2051-11
Synonyms 1H-Indole-2,3-dione, 5-chloro- 5-Chloranyl-1H-indole-2,3-dione 5-Chloro-1H-indole-2,3-dione 5-Chloroindoline-2,3-dione
Wiley ID 1821297