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4-keto-6,7-diazabicyclo[3.2.2]nona-2,8-diene-6,7-dicarboxylic acid diethyl ester
SpectraBase Compound ID Hu3D9lASaph
InChI InChI=1S/C13H16N2O5/c1-3-19-12(17)14-9-5-7-10(11(16)8-6-9)15(14)13(18)20-4-2/h5-10H,3-4H2,1-2H3/t9-,10+/m1/s1
InChIKey CSRUFDMRRASNTJ-ZJUUUORDSA-N
Mol Weight 280.28 g/mol
Molecular Formula C13H16N2O5
Exact Mass 280.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41ZLJXO6qOO
Name 4-keto-6,7-diazabicyclo[3.2.2]nona-2,8-diene-6,7-dicarboxylic acid diethyl ester
CAS Registry Number 18245-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O5
InChI InChI=1S/C13H16N2O5/c1-3-19-12(17)14-9-5-7-10(11(16)8-6-9)15(14)13(18)20-4-2/h5-10H,3-4H2,1-2H3/t9-,10+/m1/s1
InChIKey CSRUFDMRRASNTJ-ZJUUUORDSA-N
Molecular Weight 280.280 g/mol
SMILES CCOC(=O)N1N([C@]2(C=CC([C@@]1(C=C2)[H])=O)[H])C(OCC)=O
SPLASH splash10-0a59-0970000000-0c7a975309eef932b922
Source of Spectrum KC-1990-2339-11
Synonyms 4-Oxo-6,7-diazabicyclo[3.2.2]nona-2,8-diene-6,7-dicarboxylic acid diethyl ester Diethyl 4-oxidanylidene-6,7-diazabicyclo[3.2.2]nona-2,8-diene-6,7-dicarboxylate Diethyl 4-oxo-6,7-diazabicyclo[3.2.2]nona-2,8-diene-6,7-dicarboxylate
Wiley ID 1283533