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2,2-Dimethyl-5-[(E)-3-(1H-pyrrol-2-yl)prop-2-enylidene]-1,3-dioxane-4,6-dione
SpectraBase Compound ID 802DDCZidqb
InChI InChI=1S/C13H13NO4/c1-13(2)17-11(15)10(12(16)18-13)7-3-5-9-6-4-8-14-9/h3-8,14H,1-2H3/b5-3+
InChIKey QULRMVOGYYHPFO-HWKANZROSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDd7OFc7Q7b
Name 2,2-Dimethyl-5-[(E)-3-(1H-pyrrol-2-yl)prop-2-enylidene]-1,3-dioxane-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c1-13(2)17-11(15)10(12(16)18-13)7-3-5-9-6-4-8-14-9/h3-8,14H,1-2H3/b5-3+
InChIKey QULRMVOGYYHPFO-HWKANZROSA-N
Molecular Weight 247.250 g/mol
SMILES [nH]1cccc1\C=C\C=C1C(OC(OC1=O)(C)C)=O
SPLASH splash10-01bj-1920000000-c3bf2cde070000ed9c73
Source of Spectrum KC-0-2199-45
Synonyms 2,2-Dimethyl-5-[(E)-3-(1H-pyrrol-2-yl)prop-2-enylidene]-1,3-dioxane-4,6-quinone
Wiley ID 822908