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(1S,6S)-Diethyl 4-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate
SpectraBase Compound ID LDCy03meiq8
InChI InChI=1S/C14H17NO5/c1-4-19-13(17)9-8-6-7(3)12(16)15-11(8)10(9)14(18)20-5-2/h6,8,11H,4-5H2,1-3H3,(H,15,16)/t8-,11-/m0/s1
InChIKey QOYGKCVXPKRMHL-KWQFWETISA-N
Mol Weight 279.29 g/mol
Molecular Formula C14H17NO5
Exact Mass 279.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMJxzpx3fI9
Name (1S,6S)-Diethyl 4-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate
Alternate Name(s) Diethyl (1S,6S)-4-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO5
InChI InChI=1S/C14H17NO5/c1-4-19-13(17)9-8-6-7(3)12(16)15-11(8)10(9)14(18)20-5-2/h6,8,11H,4-5H2,1-3H3,(H,15,16)/t8-,11-/m0/s1
InChIKey QOYGKCVXPKRMHL-KWQFWETISA-N
Literature Reference DOI 10.1002/anie.201403885
Molecular Weight 279.292 g/mol
SMILES N1[C@]2([C@@](C=C(C1=O)C)(C(=C2C(OCC)=O)C(OCC)=O)[H])[H]
SPLASH splash10-03di-3900000000-c869603d3e13cb834e8f
Source of Spectrum ACI-53-SMS17-9b
Wiley ID 1782679