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3-Chloroplumbagin

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Chloroplumbagin
SpectraBase Compound ID 4B82n6exs3g
InChI InChI=1S/C11H7ClO3/c1-5-9(12)11(15)8-6(10(5)14)3-2-4-7(8)13/h2-4,13H,1H3
InChIKey LHPOSZYLQOYNDN-UHFFFAOYSA-N
Mol Weight 222.63 g/mol
Molecular Formula C11H7ClO3
Exact Mass 222.008372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fh9PB0A4T0X
Name 3-Chloroplumbagin
Alternate Name(s) 3-Chloro-5-hydroxy-2-methylnaphthalene-1,4-dione 3-Chloro-5-hydroxy-2-methyl-naphthalene-1,4-dione 3-Chloranyl-2-methyl-5-oxidanyl-naphthalene-1,4-dione
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Formula C11H7ClO3
InChI InChI=1S/C11H7ClO3/c1-5-9(12)11(15)8-6(10(5)14)3-2-4-7(8)13/h2-4,13H,1H3
InChIKey LHPOSZYLQOYNDN-UHFFFAOYSA-N
Molecular Weight 222.627 g/mol
SMILES Oc1c2c(C(C(=C(C2=O)Cl)C)=O)ccc1
SPLASH splash10-00dr-0960000000-9377161b96bcbbba1f11
Source of Spectrum E1-45-443-13
Wiley ID 1553710