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(1S,6S)-Diethyl 3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate
SpectraBase Compound ID 6hXvIJsBRfu
InChI InChI=1S/C13H15NO5/c1-3-18-12(16)9-7-5-6-8(15)14-11(7)10(9)13(17)19-4-2/h5-7,11H,3-4H2,1-2H3,(H,14,15)/t7-,11-/m0/s1
InChIKey CPOZVOVDQHQZJY-CPCISQLKSA-N
Mol Weight 265.26 g/mol
Molecular Formula C13H15NO5
Exact Mass 265.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHUc4CYgACH
Name (1S,6S)-Diethyl 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 C13H15NO5
InChI InChI=1S/C13H15NO5/c1-3-18-12(16)9-7-5-6-8(15)14-11(7)10(9)13(17)19-4-2/h5-7,11H,3-4H2,1-2H3,(H,14,15)/t7-,11-/m0/s1
InChIKey CPOZVOVDQHQZJY-CPCISQLKSA-N
Literature Reference DOI 10.1002/anie.201403885
Molecular Weight 265.265 g/mol
SMILES N1[C@]2([C@@](C=CC1=O)(C(=C2C(OCC)=O)C(OCC)=O)[H])[H]
SPLASH splash10-002b-7900000000-656e25749f886f2490ef
Source of Spectrum ACI-53-SMS7-4b
Synonyms Diethyl (1S,6S)-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate
Wiley ID 1782674