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(3aR,4S,4aR,10bS)-4-Ethyl-1,2,3,3a,4,4a-hexahydrocyclopenta[2,3]cyclobuta[1,2-c]quinol-5(6H)-one
SpectraBase Compound ID Asz7auIFp5c
InChI InChI=1S/C16H19NO/c1-2-10-11-7-5-9-16(11)12-6-3-4-8-13(12)17-15(18)14(10)16/h3-4,6,8,10-11,14H,2,5,7,9H2,1H3,(H,17,18)/t10-,11+,14-,16+/m0/s1
InChIKey ZSBMRSMSXCWIHO-FJXFWJLJSA-N
Mol Weight 241.33 g/mol
Molecular Formula C16H19NO
Exact Mass 241.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JRMHwyuHqT
Name (3aR,4S,4aR,10bS)-4-Ethyl-1,2,3,3a,4,4a-hexahydrocyclopenta[2,3]cyclobuta[1,2-c]quinol-5(6H)-one
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Formula C16H19NO
InChI InChI=1S/C16H19NO/c1-2-10-11-7-5-9-16(11)12-6-3-4-8-13(12)17-15(18)14(10)16/h3-4,6,8,10-11,14H,2,5,7,9H2,1H3,(H,17,18)/t10-,11+,14-,16+/m0/s1
InChIKey ZSBMRSMSXCWIHO-FJXFWJLJSA-N
Literature Reference DOI 10.1002/anie.201310997
Molecular Weight 241.334 g/mol
SMILES N1C([C@@]2([C@]([C@@]3([C@@]2(c2c1cccc2)CCC3)[H])(CC)[H])[H])=O
SPLASH splash10-05fr-0910000000-2eb49cfc533149ab3040
Source of Spectrum ACI-53-SMS23-16a
Synonyms (3aR,4S,4aR,10bS)-4-ethyl-1,2,3,3a,4,4a-hexahydrocyclopenta[2,3]cyclobuta[1,2-c]quinolin-5(6H)-one
Wiley ID 1782206