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(4S,4aR,7S,7aR)-4,7-dimethyl-2-[(1S)-1-phenylethyl]-1,4,4a,5,7,7a-hexahydro-2-pyrindine-3,6-quinone
SpectraBase Compound ID 9Tirs3zeVcV
InChI InChI=1S/C18H23NO2/c1-11-16-10-19(13(3)14-7-5-4-6-8-14)18(21)12(2)15(16)9-17(11)20/h4-8,11-13,15-16H,9-10H2,1-3H3/t11-,12-,13-,15-,16-/m0/s1
InChIKey QHESZTCVRVIWEB-IICXDKKESA-N
Mol Weight 285.39 g/mol
Molecular Formula C18H23NO2
Exact Mass 285.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfW4BzRkHIM
Name (4S,4aR,7S,7aR)-4,7-dimethyl-2-[(1S)-1-phenylethyl]-1,4,4a,5,7,7a-hexahydro-2-pyrindine-3,6-quinone
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Formula C18H23NO2
InChI InChI=1S/C18H23NO2/c1-11-16-10-19(13(3)14-7-5-4-6-8-14)18(21)12(2)15(16)9-17(11)20/h4-8,11-13,15-16H,9-10H2,1-3H3/t11-,12-,13-,15-,16-/m0/s1
InChIKey QHESZTCVRVIWEB-IICXDKKESA-N
Molecular Weight 285.387 g/mol
SMILES C1(N(C[C@@]2([C@]([C@@]1(C)[H])(CC([C@]2(C)[H])=O)[H])[H])[C@](c1ccccc1)(C)[H])=O
SPLASH splash10-0abi-0970000000-96e7c5eb180abc5972b5
Source of Spectrum H-76-1603-23
Synonyms (4S,4aR,7S,7aR)-4,7-dimethyl-2-[(1S)-1-phenylethyl]-1,4,4a,5,7,7a-hexahydrocyclopenta[c]pyridine-3,6-dione
Wiley ID 1289140