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2(1H)-Quinolinone, octahydro-7-methyl-5-(2-pyridinylmethylene)-, (4a.alpha.,5E,7.alpha.,8a.beta.)-(.+-.)-
SpectraBase Compound ID DYm1DAeJlE9
InChI InChI=1S/C16H20N2O/c1-11-8-12(10-13-4-2-3-7-17-13)14-5-6-16(19)18-15(14)9-11/h2-4,7,10-11,14-15H,5-6,8-9H2,1H3,(H,18,19)/b12-10+/t11-,14-,15-/m0/s1
InChIKey RHMDKMWJYGYXKA-JYPACHBASA-N
Mol Weight 256.35 g/mol
Molecular Formula C16H20N2O
Exact Mass 256.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6sJVTtLiT7P
Name 2(1H)-Quinolinone, octahydro-7-methyl-5-(2-pyridinylmethylene)-, (4a.alpha.,5E,7.alpha.,8a.beta.)-(.+-.)-
Alternate Name(s) (4aS,5E,7S,8aS)-7-methyl-5-(2-pyridinylmethylene)octahydro-2(1H)-quinolinone (E)-5-(2-pyridylmethylidene)perhydroquinolin-2-one
CAS Registry Number 80053-31-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O
InChI InChI=1S/C16H20N2O/c1-11-8-12(10-13-4-2-3-7-17-13)14-5-6-16(19)18-15(14)9-11/h2-4,7,10-11,14-15H,5-6,8-9H2,1H3,(H,18,19)/b12-10+/t11-,14-,15-/m0/s1
InChIKey RHMDKMWJYGYXKA-JYPACHBASA-N
Molecular Weight 256.349 g/mol
SMILES N1C(CC[C@@]2([C@@]1(C[C@](C\C2=C\c1ncccc1)(C)[H])[H])[H])=O
SPLASH splash10-02u1-0930000000-28c6de59de0dc71d1bb1
Source of Spectrum I-59-2488-0
Wiley ID 1260125