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(1S,6S)-Di-iso-propyl 4-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate
SpectraBase Compound ID 7FIlWtev0rH
InChI InChI=1S/C16H21NO5/c1-7(2)21-15(19)11-10-6-9(5)14(18)17-13(10)12(11)16(20)22-8(3)4/h6-8,10,13H,1-5H3,(H,17,18)/t10-,13-/m0/s1
InChIKey QIQDNKDBQQDSGW-GWCFXTLKSA-N
Mol Weight 307.35 g/mol
Molecular Formula C16H21NO5
Exact Mass 307.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12DFKAMRvM
Name (1S,6S)-Di-iso-propyl 4-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate
Alternate Name(s) diisopropyl (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 C16H21NO5
InChI InChI=1S/C16H21NO5/c1-7(2)21-15(19)11-10-6-9(5)14(18)17-13(10)12(11)16(20)22-8(3)4/h6-8,10,13H,1-5H3,(H,17,18)/t10-,13-/m0/s1
InChIKey QIQDNKDBQQDSGW-GWCFXTLKSA-N
Literature Reference DOI 10.1002/anie.201403885
Molecular Weight 307.346 g/mol
SMILES N1[C@@]2(C(=C([C@@]2(C=C(C1=O)C)[H])C(OC(C)C)=O)C(=O)OC(C)C)[H]
SPLASH splash10-0bt9-6900000000-1b7d92991ef093ce3a35
Source of Spectrum ACI-53-SMS18-9c
Wiley ID 1782680