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(1S,6S)-Dimethyl 4-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate
SpectraBase Compound ID 72EU9XQRx69
InChI InChI=1S/C12H13NO5/c1-5-4-6-7(11(15)17-2)8(12(16)18-3)9(6)13-10(5)14/h4,6,9H,1-3H3,(H,13,14)/t6-,9-/m0/s1
InChIKey ZABBQKIEAXOPCV-RCOVLWMOSA-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 ARak5TFepaP
Name (1S,6S)-Dimethyl 4-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate
Alternate Name(s) Dimethyl (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 C12H13NO5
InChI InChI=1S/C12H13NO5/c1-5-4-6-7(11(15)17-2)8(12(16)18-3)9(6)13-10(5)14/h4,6,9H,1-3H3,(H,13,14)/t6-,9-/m0/s1
InChIKey ZABBQKIEAXOPCV-RCOVLWMOSA-N
Literature Reference DOI 10.1002/anie.201403885
Molecular Weight 251.238 g/mol
SMILES N1C(C(=C[C@@]2([C@]1(C(=C2C(OC)=O)C(OC)=O)[H])[H])C)=O
SPLASH splash10-004i-1910000000-0759aac0d6902e6f46da
Source of Spectrum ACI-53-SMS16-9a
Wiley ID 1782678