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(3aR,4aR,10bS)-4,4-Dimethyl-1,2,3,3a,4,4ahexahydrocyclopenta[2,3]cyclobuta[1,2-c]quinol-5(6H)-one
SpectraBase Compound ID Hl94iHEJ1Hx
InChI InChI=1S/C16H19NO/c1-15(2)12-8-5-9-16(12)10-6-3-4-7-11(10)17-14(18)13(15)16/h3-4,6-7,12-13H,5,8-9H2,1-2H3,(H,17,18)/t12-,13-,16+/m1/s1
InChIKey WFOGXDSMXSMRHH-IOASZLSFSA-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 69a1bZcuPfj
Name (3aR,4aR,10bS)-4,4-Dimethyl-1,2,3,3a,4,4ahexahydrocyclopenta[2,3]cyclobuta[1,2-c]quinol-5(6H)-one
Alternate Name(s) (3aR,4aR,10bS)-4,4-dimethyl-1,2,3,3a,4,4a-hexahydrocyclopenta[2,3]cyclobuta[1,2-c]quinolin-5(6H)-one
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Formula C16H19NO
InChI InChI=1S/C16H19NO/c1-15(2)12-8-5-9-16(12)10-6-3-4-7-11(10)17-14(18)13(15)16/h3-4,6-7,12-13H,5,8-9H2,1-2H3,(H,17,18)/t12-,13-,16+/m1/s1
InChIKey WFOGXDSMXSMRHH-IOASZLSFSA-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])(C)C)[H])=O
SPLASH splash10-00di-0920000000-eb8c3cddbd05931383d7
Source of Spectrum ACI-53-SMS20-13
Wiley ID 1782203