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7-methyl-8-oxo-7-azabicyclo[4.2.0]octa-2,4-diene-4,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 9cVMVh8LwOk
InChI InChI=1S/C12H13NO5/c1-13-9-7(10(13)14)5-4-6(11(15)17-2)8(9)12(16)18-3/h4-5,7,9H,1-3H3
InChIKey MTEXQVUMJDBQCB-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 9zHFLG1aqdN
Name 7-methyl-8-oxo-7-azabicyclo[4.2.0]octa-2,4-diene-4,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 8-keto-7-methyl-7-azabicyclo[4.2.0]octa-2,4-diene-4,5-dicarboxylic acid dimethyl ester dimethyl 7-methyl-8-oxidanylidene-7-azabicyclo[4.2.0]octa-2,4-diene-4,5-dicarboxylate dimethyl 7-methyl-8-oxo-7-azabicyclo[4.2.0]octa-2,4-diene-4,5-dicarboxylate
CAS Registry Number 117125-27-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-13-9-7(10(13)14)5-4-6(11(15)17-2)8(9)12(16)18-3/h4-5,7,9H,1-3H3
InChIKey MTEXQVUMJDBQCB-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES C=1(C2C(C=CC1C(=O)OC)C(N2C)=O)C(=O)OC
SPLASH splash10-03di-0900000000-ca0134ef320289056c15
Source of Spectrum Y-25-733-9
Wiley ID 1254396