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2,2-Dimethyl-5-[1-(1H-pyrrol-2-yl)ethylidene]-1,3-dioxane-4,6-dione
SpectraBase Compound ID Ii1kVFJOnS7
InChI InChI=1S/C12H13NO4/c1-7(8-5-4-6-13-8)9-10(14)16-12(2,3)17-11(9)15/h4-6,13H,1-3H3
InChIKey XPAFMDKJSLNRIU-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFW29tPfkuj
Name 2,2-Dimethyl-5-[1-(1H-pyrrol-2-yl)ethylidene]-1,3-dioxane-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-7(8-5-4-6-13-8)9-10(14)16-12(2,3)17-11(9)15/h4-6,13H,1-3H3
InChIKey XPAFMDKJSLNRIU-UHFFFAOYSA-N
Molecular Weight 235.239 g/mol
SMILES [nH]1cccc1C(=C1C(OC(OC1=O)(C)C)=O)C
SPLASH splash10-001i-0900000000-a6739463a54079585904
Source of Spectrum KC-0-2199-18
Synonyms 2,2-Dimethyl-5-[1-(1H-pyrrol-2-yl)ethylidene]-1,3-dioxane-4,6-quinone
Wiley ID 822907