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6,7-Diazabicyclo[3.2.2]non-2-ene-6,7-dicarboxylic acid, 4-oxo-, diethyl ester
SpectraBase Compound ID 9cYC4DgFoC4
InChI InChI=1S/C13H18N2O5/c1-3-19-12(17)14-9-5-7-10(11(16)8-6-9)15(14)13(18)20-4-2/h6,8-10H,3-5,7H2,1-2H3/t9-,10+/m0/s1
InChIKey ICLAMTZNJPNWHZ-VHSXEESVSA-N
Mol Weight 282.3 g/mol
Molecular Formula C13H18N2O5
Exact Mass 282.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PU5pUymRIs
Name 6,7-Diazabicyclo[3.2.2]non-2-ene-6,7-dicarboxylic acid, 4-oxo-, diethyl ester
Alternate Name(s) Diethyl 2-oxo-6,7-diazabicyclo[3.2.2]non-3-ene-6,7-dicarboxylate Diethyl 4-oxo-6,7-diazabicyclo[3.2.2]non-2-ene-6,7-dicarboxylate
CAS Registry Number 106362-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O5
InChI InChI=1S/C13H18N2O5/c1-3-19-12(17)14-9-5-7-10(11(16)8-6-9)15(14)13(18)20-4-2/h6,8-10H,3-5,7H2,1-2H3/t9-,10+/m0/s1
InChIKey ICLAMTZNJPNWHZ-VHSXEESVSA-N
Molecular Weight 282.296 g/mol
SMILES C(N1N([C@]2(C(C=C[C@@]1(CC2)[H])=O)[H])C(=O)OCC)(=O)OCC
SPLASH splash10-0bu0-6940000000-5bf721a03b54fb61c60e
Source of Spectrum KC-1990-2340-13
Wiley ID 1285497