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2-Acetonyl-3-(bromomethyl)-5,7-dimethoxy-1,4-naphthoquinone
SpectraBase Compound ID L7NtWLtzA9
InChI InChI=1S/C16H15BrO5/c1-8(18)4-10-12(7-17)16(20)14-11(15(10)19)5-9(21-2)6-13(14)22-3/h5-6H,4,7H2,1-3H3
InChIKey DUKUYRBFUMQQSU-UHFFFAOYSA-N
Mol Weight 367.2 g/mol
Molecular Formula C16H15BrO5
Exact Mass 366.010287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiLHfl8pqn
Name 2-Acetonyl-3-(bromomethyl)-5,7-dimethoxy-1,4-naphthoquinone
Alternate Name(s) 2-Acetonyl-3-(bromomethyl)-5,7-dimethoxy-naphthalene-1,4-dione 3-(bromomethyl)-5,7-dimethoxy-2-(2-oxidanylidenepropyl)naphthalene-1,4-dione 3-(bromomethyl)-5,7-dimethoxy-2-(2-oxopropyl)naphthalene-1,4-dione
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Formula C16H15BrO5
InChI InChI=1S/C16H15BrO5/c1-8(18)4-10-12(7-17)16(20)14-11(15(10)19)5-9(21-2)6-13(14)22-3/h5-6H,4,7H2,1-3H3
InChIKey DUKUYRBFUMQQSU-UHFFFAOYSA-N
Molecular Weight 367.195 g/mol
SMILES C1(C(=C(C(c2cc(cc(c12)OC)OC)=O)CC(=O)C)CBr)=O
SPLASH splash10-004i-9010000000-287bb7546c21149623c2
Source of Spectrum J-65-643-23
Wiley ID 1532000