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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 LVaTTTCoSc4
Name 5-Chloroisatin
Alternate Name(s) 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
CAS Registry Number 17630-76-1
Comments Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821297
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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 splash10-0007-9300000000-ad3940d872baa0acfb7e
Source of Spectrum C5-2003-2051-11
Wiley ID 1615854