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4-(Acetyloxy)-6-chloro-4-hydroxy-5,8-naphthalenedione

View entire compound with spectra: 1 MS (GC)

4-(Acetyloxy)-6-chloro-4-hydroxy-5,8-naphthalenedione
SpectraBase Compound ID AAVT5sSHB2l
InChI InChI=1S/C13H9ClO5/c1-6(15)19-5-7-2-8-10(16)4-9(14)13(18)12(8)11(17)3-7/h2-4,17H,5H2,1H3
InChIKey KZDSPOFCHMFAHK-UHFFFAOYSA-N
Mol Weight 280.66 g/mol
Molecular Formula C13H9ClO5
Exact Mass 280.013851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sCLjS0HRE2
Name 4-(Acetyloxy)-6-chloro-4-hydroxy-5,8-naphthalenedione
Alternate Name(s) 2-(acetyloxymethyl)-6-chloro-4-hydroxy-5,8-naphthalenedione
Comments Less than 3 mono-isotopic peaks
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Formula C13H9ClO5
InChI InChI=1S/C13H9ClO5/c1-6(15)19-5-7-2-8-10(16)4-9(14)13(18)12(8)11(17)3-7/h2-4,17H,5H2,1H3
InChIKey KZDSPOFCHMFAHK-UHFFFAOYSA-N
Molecular Weight 280.663 g/mol
SMILES Oc1c2c(C(=O)C=C(C2=O)Cl)cc(c1)COC(=O)C
SPLASH splash10-000i-0090000000-2f14056ee4afc4e6e8f9
Source of Spectrum J-58-7911-8
Wiley ID 1283493