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3-Chloro-6-hexanoyl-7-hydroxyjuglone
SpectraBase Compound ID EO9wrUt0PLC
InChI InChI=1S/C16H15ClO5/c1-2-3-4-5-10(18)14-12(20)6-8-11(19)7-9(17)15(21)13(8)16(14)22/h6-7,20,22H,2-5H2,1H3
InChIKey ZIXDUIWGIUXKTJ-UHFFFAOYSA-N
Mol Weight 322.74 g/mol
Molecular Formula C16H15ClO5
Exact Mass 322.060801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAYKIjxXTu1
Name 3-Chloro-6-hexanoyl-7-hydroxyjuglone
Comments Less than 3 mono-isotopic peaks
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Formula C16H15ClO5
InChI InChI=1S/C16H15ClO5/c1-2-3-4-5-10(18)14-12(20)6-8-11(19)7-9(17)15(21)13(8)16(14)22/h6-7,20,22H,2-5H2,1H3
InChIKey ZIXDUIWGIUXKTJ-UHFFFAOYSA-N
Molecular Weight 322.744 g/mol
SMILES Oc1c(c(cc2c1C(C(=CC2=O)Cl)=O)O)C(=O)CCCCC
SPLASH splash10-0udi-0092000000-37a1fa2dcca1831a16b5
Source of Spectrum SO-0-707-8
Synonyms 2-chloro-6,8-dihydroxy-7-(1-oxohexyl)naphthalene-1,4-dione 2-chloro-7-hexanoyl-6,8-dihydroxynaphthalene-1,4-dione 2-chloro-7-hexanoyl-6,8-dihydroxy-naphthalene-1,4-dione 2-chloranyl-7-hexanoyl-6,8-bis(oxidanyl)naphthalene-1,4-dione
Wiley ID 1544956