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5-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SpectraBase Compound ID AleHrzqPK16
InChI InChI=1S/C12H13NO5/c1-12(2)17-10(14)7(11(15)18-12)6-8-9(16-3)4-5-13-8/h4-6,13H,1-3H3
InChIKey KBBFNQNWYRXLBY-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdPQ1kZQuBK
Name 5-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Alternate Name(s) 5-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone 5-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
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Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-12(2)17-10(14)7(11(15)18-12)6-8-9(16-3)4-5-13-8/h4-6,13H,1-3H3
InChIKey KBBFNQNWYRXLBY-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES [nH]1ccc(c1C=C1C(OC(OC1=O)(C)C)=O)OC
SPLASH splash10-0fkc-0920000000-9ead14ee21e8af1607f1
Source of Spectrum KC-0-2199-11
Wiley ID 822915