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3-keto-6-methyl-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylic acid dimethyl ester
SpectraBase Compound ID KlwOoBY2aMs
InChI InChI=1S/C12H13NO5/c1-12-5-4-6(14)13-9(12)7(10(15)17-2)8(12)11(16)18-3/h4-5,9H,1-3H3,(H,13,14)
InChIKey KWACGUYXAQLXSF-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 9gQKCBFcTyv
Name 3-keto-6-methyl-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylic acid dimethyl ester
Alternate Name(s) 6-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylic acid dimethyl ester dimethyl 6-methyl-3-oxidanylidene-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate dimethyl 6-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate
CAS Registry Number 117125-25-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-12-5-4-6(14)13-9(12)7(10(15)17-2)8(12)11(16)18-3/h4-5,9H,1-3H3,(H,13,14)
InChIKey KWACGUYXAQLXSF-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES N1C(C=CC2(C1C(=C2C(=O)OC)C(=O)OC)C)=O
SPLASH splash10-0006-0900000000-19f174b30b81a6b8ed09
Source of Spectrum Y-25-733-7
Wiley ID 1254395