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4-keto-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 7IfwR9oiy7J
InChI InChI=1S/C11H11NO5/c1-16-10(14)7-5-3-4-6(13)12-9(5)8(7)11(15)17-2/h3-5,9H,1-2H3,(H,12,13)
InChIKey GTLDXSQBMKZCND-UHFFFAOYSA-N
Mol Weight 237.21 g/mol
Molecular Formula C11H11NO5
Exact Mass 237.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18OMVdrxPLi
Name 4-keto-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylic acid dimethyl ester
CAS Registry Number 117125-21-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO5
InChI InChI=1S/C11H11NO5/c1-16-10(14)7-5-3-4-6(13)12-9(5)8(7)11(15)17-2/h3-5,9H,1-2H3,(H,12,13)
InChIKey GTLDXSQBMKZCND-UHFFFAOYSA-N
Molecular Weight 237.211 g/mol
SMILES N1C(C=CC2C(=C(C12)C(=O)OC)C(=O)OC)=O
SPLASH splash10-0002-9010000000-7c31afb7c212dbf870aa
Source of Spectrum Y-25-733-2
Synonyms 4-oxo-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylic acid dimethyl ester dimethyl 4-oxidanylidene-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylate dimethyl 4-oxo-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylate
Wiley ID 1239353