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MOLLISIN-B
SpectraBase Compound ID FrtNuZtDfZU
InChI InChI=1S/C14H8Cl4O4/c1-4-2-6(19)9-7(20)3-5(13(15)16)8(10(9)11(4)21)12(22)14(17)18/h2-3,13-14,20H,1H3
InChIKey MTYIGWCACJKYJT-UHFFFAOYSA-N
Mol Weight 382.0 g/mol
Molecular Formula C14H8Cl4O4
Exact Mass 379.91767 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJBq1QYyGWT
Name 8-(Dichloroacetyl)-7-(dichloromethyl)-5-hydroxy-2-methylnaphthalene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8Cl4O4
InChI InChI=1S/C14H8Cl4O4/c1-4-2-6(19)9-7(20)3-5(13(15)16)8(10(9)11(4)21)12(22)14(17)18/h2-3,13-14,20H,1H3
InChIKey MTYIGWCACJKYJT-UHFFFAOYSA-N
Molecular Weight 382.026 g/mol
SMILES Oc1cc(c(c2C(=O)C(C)=CC(=O)c12)C(=O)C(Cl)Cl)C(Cl)Cl
SPLASH splash10-0002-0090000000-ae3f7d5b754e16351627
Source of Spectrum CBD-2-1114-3
Synonyms Mollisin B 8-(2,2-dichloroacetyl)-7-(dichloromethyl)-5-hydroxy-2-methylnaphthalene-1,4-dione
Wiley ID 1790231