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(2aS,8bR)-1,1-Diethoxy-3-oxo-1,3,4,8b-tetrahydrocyclobuta[c]quinolin-2a(2H)-yl acetate
SpectraBase Compound ID 3n1n1zzzIYW
InChI InChI=1S/C17H21NO5/c1-4-21-17(22-5-2)10-16(23-11(3)19)14(17)12-8-6-7-9-13(12)18-15(16)20/h6-9,14H,4-5,10H2,1-3H3,(H,18,20)/t14-,16+/m1/s1
InChIKey TXCXUMWTUBWPHH-ZBFHGGJFSA-N
Mol Weight 319.36 g/mol
Molecular Formula C17H21NO5
Exact Mass 319.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3luX9pq4TpS
Name (2aS,8bR)-1,1-Diethoxy-3-oxo-1,3,4,8b-tetrahydrocyclobuta[c]quinolin-2a(2H)-yl acetate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO5
InChI InChI=1S/C17H21NO5/c1-4-21-17(22-5-2)10-16(23-11(3)19)14(17)12-8-6-7-9-13(12)18-15(16)20/h6-9,14H,4-5,10H2,1-3H3,(H,18,20)/t14-,16+/m1/s1
InChIKey TXCXUMWTUBWPHH-ZBFHGGJFSA-N
Literature Reference DOI 10.1039/c3cc49469a
Molecular Weight 319.357 g/mol
SMILES N1C([C@]2([C@@](c3ccccc13)(C(C2)(OCC)OCC)[H])OC(C)=O)=O
SPLASH splash10-0a4r-1910000000-d255561136d549417132
Source of Spectrum KD-50-3353/SMS16-3e
Synonyms (2aS,8bR)-1,1-diethoxy-3-oxo-1,2,2a,3,4,8b-hexahydrocyclobuta[c]quinolin-2a-yl acetate
Wiley ID 1754356