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8-keto-7-azabicyclo[4.2.0]octa-2,4-diene-4,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID KCGYaZlFYpE
InChI InChI=1S/C11H11NO5/c1-16-10(14)5-3-4-6-8(12-9(6)13)7(5)11(15)17-2/h3-4,6,8H,1-2H3,(H,12,13)
InChIKey RYUPLGFZJZLLJM-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 99htQkTlJf5
Name 8-keto-7-azabicyclo[4.2.0]octa-2,4-diene-4,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 8-oxo-7-azabicyclo[4.2.0]octa-2,4-diene-4,5-dicarboxylic acid dimethyl ester dimethyl 8-oxidanylidene-7-azabicyclo[4.2.0]octa-2,4-diene-4,5-dicarboxylate dimethyl 8-oxo-7-azabicyclo[4.2.0]octa-2,4-diene-4,5-dicarboxylate
CAS Registry Number 117125-26-5
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)5-3-4-6-8(12-9(6)13)7(5)11(15)17-2/h3-4,6,8H,1-2H3,(H,12,13)
InChIKey RYUPLGFZJZLLJM-UHFFFAOYSA-N
Molecular Weight 237.211 g/mol
SMILES N1C(C2C=CC(=C(C12)C(=O)OC)C(=O)OC)=O
SPLASH splash10-03di-0900000000-9e4f5ede8ca822802bbb
Source of Spectrum Y-25-733-8
Wiley ID 1239355