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2(1H)-Quinolinone, octahydro-7-methyl-5-(2-pyridinylmethyl)-, (4a.alpha.,5.beta.,7.alpha.,8a.beta.)-(.+-.)-
SpectraBase Compound ID 12XeCG6beVt
InChI InChI=1S/C16H22N2O/c1-11-8-12(10-13-4-2-3-7-17-13)14-5-6-16(19)18-15(14)9-11/h2-4,7,11-12,14-15H,5-6,8-10H2,1H3,(H,18,19)/t11-,12+,14-,15-/m0/s1
InChIKey BSJZSLLQVZCWLB-NEBZKDRISA-N
Mol Weight 258.36 g/mol
Molecular Formula C16H22N2O
Exact Mass 258.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0T4T13WnoL
Name 2(1H)-Quinolinone, octahydro-7-methyl-5-(2-pyridinylmethyl)-, (4a.alpha.,5.beta.,7.alpha.,8a.beta.)-(.+-.)-
Alternate Name(s) (4aS,5R,7S,8aS)-7-methyl-5-(2-pyridinylmethyl)octahydro-2(1H)-quinolinone endo-5-(2-pyridyl-N-oxide)methyl-7-methylperhydroquinolin-2-one (isomer b)
CAS Registry Number 80053-33-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O
InChI InChI=1S/C16H22N2O/c1-11-8-12(10-13-4-2-3-7-17-13)14-5-6-16(19)18-15(14)9-11/h2-4,7,11-12,14-15H,5-6,8-10H2,1H3,(H,18,19)/t11-,12+,14-,15-/m0/s1
InChIKey BSJZSLLQVZCWLB-NEBZKDRISA-N
Molecular Weight 258.365 g/mol
SMILES N1C(CC[C@@]2([C@@]1(C[C@](C[C@@]2(Cc1ncccc1)[H])(C)[H])[H])[H])=O
SPLASH splash10-0006-9310000000-a9fc3bbedac15e9c918e
Source of Spectrum I-59-2489-0
Wiley ID 1262101