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4-keto-5-methyl-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 9YKR9YQNdbl
InChI InChI=1S/C12H13NO5/c1-13-7(14)5-4-6-8(11(15)17-2)9(10(6)13)12(16)18-3/h4-6,10H,1-3H3
InChIKey RWWBVEAITGUKBC-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 Is850tSIoCo
Name 4-keto-5-methyl-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylic acid dimethyl ester
Alternate Name(s) 5-methyl-4-oxo-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylic acid dimethyl ester dimethyl 5-methyl-4-oxidanylidene-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylate dimethyl 5-methyl-4-oxo-5-azabicyclo[4.2.0]octa-2,7-diene-7,8-dicarboxylate
CAS Registry Number 117125-23-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-13-7(14)5-4-6-8(11(15)17-2)9(10(6)13)12(16)18-3/h4-6,10H,1-3H3
InChIKey RWWBVEAITGUKBC-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES C1(=C(C(=O)OC)C2C1N(C(C=C2)=O)C)C(=O)OC
SPLASH splash10-03di-0900000000-ca0134ef320289056c15
Source of Spectrum Y-25-733-5
Wiley ID 1254394