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(1S,6S)-Di-tert-butyl 4-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate

View entire compound with spectra: 1 MS (GC)

(1S,6S)-Di-tert-butyl 4-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate
SpectraBase Compound ID CPnYLoUuEQK
InChI InChI=1S/C18H25NO5/c1-9-8-10-11(15(21)23-17(2,3)4)12(13(10)19-14(9)20)16(22)24-18(5,6)7/h8,10,13H,1-7H3,(H,19,20)/t10-,13-/m0/s1
InChIKey BVOKLOBDCILFDE-GWCFXTLKSA-N
Mol Weight 335.4 g/mol
Molecular Formula C18H25NO5
Exact Mass 335.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KfBrV7yVbN
Name (1S,6S)-Di-tert-butyl 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 C18H25NO5
InChI InChI=1S/C18H25NO5/c1-9-8-10-11(15(21)23-17(2,3)4)12(13(10)19-14(9)20)16(22)24-18(5,6)7/h8,10,13H,1-7H3,(H,19,20)/t10-,13-/m0/s1
InChIKey BVOKLOBDCILFDE-GWCFXTLKSA-N
Literature Reference DOI 10.1002/anie.201403885
Molecular Weight 335.400 g/mol
SMILES N1[C@@]2(C(=C([C@@]2(C=C(C1=O)C)[H])C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)[H]
SPLASH splash10-0a4i-8920000000-67939cb429ddf1c6851d
Source of Spectrum ACI-53-SMS20-9d
Synonyms di-tert-butyl (1S,6S)-4-methyl-3-oxo-2-azabicyclo[4.2.0]octa-4,7-diene-7,8-dicarboxylate
Wiley ID 1782681