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6,7-Dichloro-3-ethyl-2,5,8-trihydroxy-1,4-naphthoquinone
SpectraBase Compound ID jGqgk1s3ai
InChI InChI=1S/C12H8Cl2O5/c1-2-3-8(15)4-5(12(19)9(3)16)11(18)7(14)6(13)10(4)17/h16-18H,2H2,1H3
InChIKey HTTYYYQEIIVFHL-UHFFFAOYSA-N
Mol Weight 303.1 g/mol
Molecular Formula C12H8Cl2O5
Exact Mass 301.974879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKBufL80ogF
Name 6,7-Dichloro-3-ethyl-2,5,8-trihydroxy-1,4-naphthoquinone
Appearance Wine-red needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8Cl2O5
InChI InChI=1S/C12H8Cl2O5/c1-2-3-8(15)4-5(12(19)9(3)16)11(18)7(14)6(13)10(4)17/h16-18H,2H2,1H3
InChIKey HTTYYYQEIIVFHL-UHFFFAOYSA-N
Instrument Name LKB-9000S
Ionization Type EI
Literature Reference DOI 10.1021/np0502185
SMILES Oc1c(c(c(c2c1C(C(=C(C2=O)CC)O)=O)O)Cl)Cl
SPLASH splash10-000i-0092000000-00869a3cbf70961026ee
Source of Spectrum G4-69-1128-17
Wiley ID 1874263