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MOLLISIN-A

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

MOLLISIN-A
SpectraBase Compound ID 5X8D2cTOZl
InChI InChI=1S/C14H9Cl3O4/c1-5-2-7(18)10-8(19)3-6(4-15)9(11(10)12(5)20)13(21)14(16)17/h2-3,14,19H,4H2,1H3
InChIKey MOUDGTOHKRNNAG-UHFFFAOYSA-N
Mol Weight 347.58 g/mol
Molecular Formula C14H9Cl3O4
Exact Mass 345.956642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdzHN9lbLE
Name 7-(Chloromethyl)-8-(dichloroacetyl)-5-hydroxy-2-methylnaphthalene-1,4-dione
Alternate Name(s) Mollisin A 7-(chloromethyl)-8-(2,2-dichloroacetyl)-5-hydroxy-2-methylnaphthalene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9Cl3O4
InChI InChI=1S/C14H9Cl3O4/c1-5-2-7(18)10-8(19)3-6(4-15)9(11(10)12(5)20)13(21)14(16)17/h2-3,14,19H,4H2,1H3
InChIKey MOUDGTOHKRNNAG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.200590080
Molecular Weight 347.581 g/mol
SMILES Oc1c2C(C=C(C(c2c(c(c1)CCl)C(=O)C(Cl)Cl)=O)C)=O
SPLASH splash10-03di-0090000000-4d900d024bddaf32c31d
Source of Spectrum CBD-2-1114-2
Wiley ID 1790230