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3-(3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl)propenal
SpectraBase Compound ID 4iJ4A1NGIWj
InChI InChI=1S/C13H7BrO3/c14-11-10(6-3-7-15)12(16)8-4-1-2-5-9(8)13(11)17/h1-7H/b6-3+
InChIKey PDDDDMVJTKBZHA-ZZXKWVIFSA-N
Mol Weight 291.1 g/mol
Molecular Formula C13H7BrO3
Exact Mass 289.957857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4W2PmUHFTc
Name 3-(3-Bromo-1,4-dioxo-1,4-dihydronaphthalen-2-yl)propenal
Alternate Name(s) (2E)-3-(3-bromo-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-propenal
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Formula C13H7BrO3
InChI InChI=1S/C13H7BrO3/c14-11-10(6-3-7-15)12(16)8-4-1-2-5-9(8)13(11)17/h1-7H/b6-3+
InChIKey PDDDDMVJTKBZHA-ZZXKWVIFSA-N
Molecular Weight 291.100 g/mol
SMILES C(\C=C\C=1C(c2c(C(C1Br)=O)cccc2)=O)=O
SPLASH splash10-01si-0940000000-a51aa0ff52cec22ffa9f
Source of Spectrum C5-2004-1944-2
Wiley ID 1617144